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EC number: 279-420-3 | CAS number: 80206-82-2
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
Description of key information
Additional information
Environmental fate and pathways
Environmental exposure
Exposure could arise in association with production, formulation and industrial use of the substance. There would also be exposure from consumer uses.
The main uses of alcohols are as manufacturing intermediates for consumer products. Discharge of these products is expected to be primarily to water, through disposal to drain.
Occupational Exposure: As a rule aliphatic alcohols are manufactured and processed in established chemical complexes in closed installations; these are usually operated at high temperature and pressure. At these sites standard personal protective equipment is routinely applied to prevent direct skin and eye contact. Generally, aliphatic alcohols are of a low volatility and as a rule engineering controls are available preventing the need for respiratory protection. For non-routine operations involving a break in enclosed systems a higher level of protection is applied. Operations with a potential for significant exposure require a permit to work system and a case-by-case assessment is made for appropriate protective measures. Exposure through the use of products in industry and commerce is mitigated by applying measures aimed to prevent direct skin and eye contact by following the recommendations in the material safety data sheet (MSDS).
Consumer Exposure: Aliphatic alcohols are formulated in consumer laundry, cleaning and personal care products. Product labels reflect the hazard potential of the chemical ingredients in these products and include first aid instructions in case of non-intentional exposure.
Environmental fate
All of the alcohols would be expected to be stable in respect of abiotic degradation in water. Photo-oxidation in aqueous systems will not be significant.
Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions. This substance has no hydrolysable structural features and would be expected to be stable in respect of hydrolysis. Alcohols have no hydrolysable groups and are therefore not susceptible to hydrolysis (Lyman, Reehl and Rosenblatt, 1990). Oxidation would not be expected under normal environmental conditions.
Reference: Lyman WJ et al; Handbook of Chemical Property Estimation Methods.,: Amer Chem Soc p. 7-4, 7-5, 8-12 (1990)]
Stability
Phototransformation in air
Using the AOPWIN QSAR model, the photochemical degradation rate of Alcohols, C12-14 in the atmosphere is 18.1944 E-12 cm3/molecule-sec, with a resultant predicted half live of 7.054 Hrs ( 0.588 Days (12-hr day; 1.5E6 OH/cm3))
OVERALL OH Rate Constant = 18.1944 E-12 cm3/molecule-sec
HALF-LIFE = 0.588 Days (12-hr day; 1.5E6 OH/cm3)
HALF-LIFE = 7.054 Hrs
Alcohols, C12-14 has low vapor pressure (0.245 Pa ) indicating significant amounts of Alcohols, C12-14 are unlikely to be present in the atmosphere for photodegradation. The estimated half-life is about 7.054 Hrs (OH rate = 18.1944 E-12 cm3/molecule-sec) with the AOPWIN (US EPA, 2011).
If released to air, a vapor pressure of 0.00181 mm Hg at 25 deg C (0.00181 mm Hg is equivalent to vapour pressure of 0.245 Pa) indicates significant amounts of Alcohols, C12-14 are unlikely to be present in the atmosphere for photodegradation and therefore Alcohols, C12-14 is not expected to be susceptible to direct photolysis by sunlight.
Phototransformation in water
It is not applicable for a compound wich is insoluble or slightly soluble
Phototransformation in soil
If released to soil, Alcohols, C12-14 is expected to have low mobility based upon an estimated Koc of 2245 . Volatilization from moist soil surfaces is not expected to be an important fate process. Therefore testing for Phototransformation in soils does not need to be performed.
Hydrolysis
According to “ANNEX VIII- STANDARD INFORMATION REQUIREMENTS FOR SUBSTANCES MANUFACTURED OR IMPORTED IN QUANTITIES OF 10 TONNES OR MORE , study for Hydrolysis as a function of pH does not need to be conducted if: -the substance is ready biodegradable.
As Alcohols, C12-14 is ready biodegradable a Hydrolysis study does not need to be conducted.
Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions. This substance has no hydrolysable structural features and would be expected to be stable in respect of hydrolysis.
Alcohols have no hydrolysable groups and are therefore not susceptible to hydrolysis (Lyman, Reehl and Rosenblatt, 1990).
Oxidation would not be expected under normal environmental conditions.
Reference: Lyman WJ et al; Handbook of Chemical Property Estimation Methods.,: Amer Chem Soc p. 7-4, 7-5, 8-12 (1990)]
Hydrolysis is a chemical reaction during which molecules of water (H2O) are split into hydrogen cations (H+, conventionally referred to as protons) and hydroxide anions (OH−) in the process of a chemical mechanism). This substance, which contains primarily ether linkages, is not anticipated to hydrolyze readily in water at neutral pHs.
Biodegradation
Biodegradation in water:screening tests
Data of following studies are demonstrating rapid biodegradationAlcohols, C12-14 under aerobic conditions.
Henkel KGaA. , 1997 conducted BOD-test for Insoluble Substances (BODIS); ISO 10708 for Biodegradation of Alcohols, C12-14.
The test method used is based on OECD test method 301D and the RDA-Blok-Test. Mineral medium was inoculated with activated sludge and stabilized for one week at 18-22 C with continuous stirring. After stabilisation, 200 ml of test medium was filled into 300 ml bottles, aerated until O2 saturation was reached and spiked with test substance by directly weighing into the test vessels.
Degradation was 79 - 97 % after 28 day(s), the substance is considered to be readily biodegradable
The BIOWIN QSAR predicts that the substance Alcohols, C12-14 will be readily biodegradable.
Richterich , 1993 conducted OECD 301D test for Biodegradation of Alcohols, C12 (1-Dodecanol). Degradation was 79 % after 28 day(s) , the substance is considered to be readily biodegradable. Dodecan-1-ol (C12) is supporting substance for Alcohols, C12-C14 and the main component. The test substance (2 mg/l) attained >60% degradation during the 14 day window.
Henkel KGaA. , 1992 conducted OECD test method 301D and BOD-test for Insoluble Substances (BODIS); ISO 10708 for Biodegradation of Dodecan-1-ol (C12. Degradation was 100 % after 28 day(s) , the substance is considered to be readily biodegradable.
The substance degraded >60% in the 10 day window. .Dodecan-1-ol (C12) is supporting substance for Alcohols, C12-C14 and the main component.
Morris, P.A., Filler, P.A., and Nielsen, A.M. (1991) conducted OECD 301B test and Degradationwas 71 % after 28 day(s) , the substance is considered to be readily biodegradable. The substance degraded >60% in the 14 day window. .Dodecan-1-ol (C12) is supporting substance for Alcohols,C12-C14 and the main component. The reference substance Sodium acetate degraded by 78% after 28 days.
Table Summary of Biodegradation in water:screening tests
Type/ Method |
Test material |
Degradation |
Duration |
References |
|
Aerobic/ OECD 301D/(BODIS) |
Alcohols, C12-14 |
79-97% in 28 days at 100 mg/L |
28 days |
Henkel KGaA. , 1997 |
|
Aerobic/ OECD 301D |
Alcohols, C12 (1-Dodecanol).
|
79%
|
28 days
|
Richterich , 1993 |
|
Aerobic/ OECD 301D/(BODIS |
Alcohols, C12 (1-Dodecanol).
|
100 % |
28 days |
Henkel KGaA. , 1992 |
|
Aerobic/ OECD 301D |
Alcohols, C12 (1-Dodecanol).
|
71 % |
28 days |
Morris, P.A., Filler, P.A., and Nielsen, A.M. (1991) |
|
Biodegradation in water and sediment: simulation tests
According to “ANNEX IX- STANDARD INFORMATION REQUIREMENTS FOR SUBSTANCES MANUFACTURED OR IMPORTED IN QUANTITIES OF 100 TONNES OR MORE”, a simulation testing on ultimate degradation in surface water, the study does not need to be performed if the substance is ready biodegradable. As Alcohols, C12-14 is ready biodegradable a ready biodegradability study does not need to be conducted.
Therefore testing for Biodegradation in water does not need to be performed
Biodegradation in soil
Expert Judgement
If released to soil, Alcohols, C12-14 is expected to have very high mobility based upon an estimated Koc of 2245. Volatilization from moist soil surfaces is not expected to be an important fate process. Therefore testing for Biodegradation in water does not need to be performed
Bioaccumulation
Bioaccumulation is considered to be low for Alcohols, C12-14 which is from the category of Long Chain aliphatic Alcohols, which are rapidly metabolised in higher organisms.
The estimated Log BCF of Alcohols, C12-14 is 1.677 (BCF = 47.59 L/kg wet-wt).This substance has a limited potential to bioaccumulate (based on log Kow used by BCF estimates: 5.13, and predicted bioconcentration factors, log BCF = 1.677 (EPIWIN/BCF Program).
A 96 hours, hexadecan-1-ol bioconcentration factors (BCFs) for the Brachydanio rerio (new name: Danio rerio) species ranged from 500 to 1000 (Unilever,1996).
These experimental and estimated BCF values suggest that Alcohols, C12-14 has a low potential for bioaccumulation.
Chain lengths C11 and above have log Kow >4.5 and so could be considered to be potentially bioaccumulative.
Two evidences result in the conclusion that Alcohols, C12-14 is not expected to be B/vB:
1. Due to rapid degradation combined with evidence of rapid metabolism in mammalian and fish studies, it is unlikely that bioaccumulation of Alcohols, C12-14 would be demonstrated in studies.
2. The conduct of guideline-standard studies of bioaccumulation in fish would be confounded by the technical difficulties of maintaining the test alcohol in solution according to results of other long-term studies with invertebrates. In these studies, severe difficulties were encountered in conducting the study as biodegradation of the substance in the test system was almost complete within the 24 h test media renewal period.
Therefore, Alcohols, C12-14 is not considered to be bioaccumulative.
According to “ANNEX IX- STANDARD INFORMATION REQUIREMENTS FOR SUBSTANCES MANUFACTURED OR IMPORTED IN QUANTITIES OF 100 TONNES OR MORE , a bioaccumulation study need not be conducted if:
— the substance has a low potential for bioaccumulation (for instance a log Kow ≤ 3) and/or a low potential to cross biological membranes, or
— direct and indirect exposure of the aquatic compartment is unlikely.
The estimated Log BCF of Alcohols, C12-14 is 1.677 (BCF = 47.59 L/kg wet-wt)
This substance has a limited potential to bioaccumulate (based on log Kow used by BCF estimates: 5.13, and predicted bioconcentration factors, log BCF = 1.677 (EPIWIN/BCF Program).
The estimated BCF of 47.59 L/kg wet-wt was measured by calculation from EPI SuiteTM v4.1 Program.
These values would suggest very low bioaccumulation potential.
This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency).
BCFBAF Program (v3.01) Results:
==============================
SMILES : CCCCCCCCCCCCO
CHEM : Alcohols, C12-14
MOL FOR: C13 H28O
MOL WT : 193-203
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 1.68 (BCF = 47.6 L/kg wet-wt)
Biotransformation Half-Life (days) : 1.11 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 2.65 (BAF = 445 L/kg wet-wt)
Log Kow (experimental): 5.13
Log Kow used by BCF estimates: 5.13
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s): Value
Alkyl chains (8+ -CH2- groups) -1.374
Estimated Log BCF = 1.677 (BCF = 47.59 L/kg wet-wt)
Bioaccumulation: terrestrial
According to “ANNEX IX- STANDARD INFORMATION REQUIREMENTS FOR SUBSTANCES MANUFACTURED OR IMPORTED IN QUANTITIES OF 100 TONNES OR MORE , a bioaccumulation study need not be conducted if:
— the substance has a low potential for bioaccumulation (for instance a log Kow ≤ 3) and/or a low potential to cross biological membranes, or
— direct and indirect exposure of the aquatic compartment is unlikely.
The estimated Log BCF of Alcohols, C12-14 is 1.677 (BCF = 47.59 L/kg wet-wt)
This substance has a limited potential to bioaccumulate (based on log Kow used by BCF estimates: 5.13, and predicted bioconcentration factors, log BCF = 1.677 (EPIWIN/BCF Program).
The estimated BCF of 47.59 L/kg wet-wt was measured by calculation from EPI SuiteTM v4.1 Program.
These values would suggest very low bioaccumulation potential.
This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency).
BCFBAF Program (v3.01) Results:
==============================
SMILES : CCCCCCCCCCCCO
CHEM : Alcohols, C12-14
MOL FOR: C13 H28O
MOL WT : 193-203
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 1.68 (BCF = 47.6 L/kg wet-wt)
Biotransformation Half-Life (days) : 1.11 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 2.65 (BAF = 445 L/kg wet-wt)
Log Kow (experimental): 5.13
Log Kow used by BCF estimates: 5.13
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s): Value
Alkyl chains (8+ -CH2- groups) -1.374
Estimated Log BCF = 1.677 (BCF = 47.59 L/kg wet-wt)
===========================================================
Whole Body Primary Biotransformation Rate Estimate for Fish:
===========================================================
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 1 | Linear C4 terminal chain [CCC-CH3] | 0.0341 | 0.0341
Frag | 1 | Aliphatic alcohol [-OH] | -0.0616 | -0.0616
Frag | 1 | Methyl [-CH3] | 0.2451 | 0.2451
Frag | 11 | -CH2- [linear] | 0.0242 | 0.2661
L Kow| * | Log Kow = 5.13 (experimental ) | 0.3073 | 1.5767
MolWt| * | Molecular Weight Parameter | | -0.4778
Const| * | Equation Constant | | -1.5371
============+============================================+=========+=========
RESULT | LOG Bio Half-Life (days) | | 0.0455
RESULT | Bio Half-Life (days) | | 1.11
NOTE | Bio Half-Life Normalized to 10 g fish at 15 deg C |
============+============================================+=========+=========
Biotransformation Rate Constant:
kM (Rate Constant): 0.6242 /day (10 gram fish)
kM (Rate Constant): 0.351 /day (100 gram fish)
kM (Rate Constant): 0.1974 /day (1 kg fish)
kM (Rate Constant): 0.111 /day (10 kg fish)
Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):
Estimated Log BCF (upper trophic) = 2.645 (BCF = 441.5 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 2.649 (BAF = 445.4 L/kg wet-wt)
Estimated Log BCF (mid trophic) = 2.768 (BCF = 586.7 L/kg wet-wt)
Estimated Log BAF (mid trophic) = 2.810 (BAF = 645.1 L/kg wet-wt)
Estimated Log BCF (lower trophic) = 2.804 (BCF = 636.2 L/kg wet-wt)
Estimated Log BAF (lower trophic) = 2.953 (BAF = 896.5 L/kg wet-wt)
Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):
Estimated Log BCF (upper trophic) = 3.988 (BCF = 9717 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 5.245 (BAF = 1.758e+005 L/kg wet-wt)
Transport and distribution
Adsorption / desorption
The log of the adsorption coefficient (KOC) of Alcohols, C12-14 was estimated to be log KOC = 3.3512 which is equal to a KOC value of 2245 using the KOCWIN v2.00 QSAR method.
KOCWIN Program (v2.00) Results:
==============================
SMILES : CCCCCCCCCCCCO
CHEM : Alcohols, C12-14
MOL FOR: C13 H28O
MOL WT : 193-203
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 6.414
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 3.9435
Fragment Correction(s):
1 Aliphatic Alcohol (-C-OH) ........... : -1.3179
Corrected Log Koc .................................. : 2.6256
Estimated Koc: 422.3 L/kg <===========
Koc Estimate from Log Kow:
-------------------------
Log Kow (experimental DB) ......................... : 5.13
Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 3.7627
Fragment Correction(s):
1 Aliphatic Alcohol (-C-OH) ........... : -0.4114
Corrected Log Koc .................................. : 3.3512
Estimated Koc: 2245 L/kg <===========
Henry's Law constant
The estimated Henrys Law Constant (25 deg C) measured by calculation from EPI SuiteTM v4.1, HENRYWIN v3.20 Program was 1.54E-004 atm-m3/mole (1.56E+001 Pa-m3/mole). This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency).
Distribution modelling.
Alcohols, C12-14 has no affinity to be in air and sediment. The direct emissions to soil and surface water are significant, therefore Alcohols, C12-14 will be almost exclusively be found in soil and surface water.
Mackay fugacity modelling (level 3) indicates that, taking into account degradation and using inflow parameters which are consistent with the known production tonnage of this substance in, fugacity coefficient indicates that environmental concentrations in water are predicted to be 1.95e-010 (atm), in air (atm) 2.37e-011 and soil 6.36e-010 (atm) and sediment to be 1.5e-010 (atm).
These are negligible low levels. This can be considered a worse case prediction as it assumes all product is emitted with no emission control systems used.
Other distribution data
The results suggest for Alcohols, C12-14 that direct and indirect exposure from distribution in media is unlikely.
Based on low vapor pressure and low estimated log Pow, expected to partition to water and soil. Not expected to partition to air, sediments or biota.
Therefore testing for distribution in media does not need to be performed.
The estimated STP Fugacity Model and Volatilization From Water were measured by calculation from EPI SuiteTM v4.1 Program. This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency) .
Volatilization From Water
=========================
Chemical Name: Alcohols, C12-14
Molecular Weight : 186.34 g/mole
Water Solubility : -----
Vapor Pressure : -----
Henry's Law Constant: 2.22E-005 atm-m3/mole (Henry experimental database)
RIVER
--------- ---------
Water Depth (meters): 1 1
Wind Velocity (m/sec): 5 0.5
Current Velocity (m/sec): 1 0.05
HALF-LIFE (hours) : 37.39 522.4
HALF-LIFE (days ) : 1.558 21.77
STP Fugacity Model: Predicted Fate in a Wastewater Treatment Facility
======================================================================
(using 10000 hr Bio P,A,S)
PROPERTIES OF: Alcohols, C12-14
-------------
Molecular weight (g/mol) 186.34
Aqueous solubility (mg/l) 0
Vapour pressure (Pa) 0
(atm) 0
(mm Hg) 0
Henry 's law constant (Atm-m3/mol) 2.22E-005
Air-water partition coefficient 0.000907914
Octanol-water partition coefficient (Kow) 134896
Log Kow 5.13
Biomass to water partition coefficient 26980.1
Temperature [deg C] 25
Biodeg rate constants (h^-1),half life in biomass (h) and in 2000 mg/L MLSS (h):
-Primary tank 0.00 9818.05 10000.00
-Aeration tank 0.00 9818.05 10000.00
-Settling tank 0.00 9818.05 10000.00
STP Overall Chemical Mass Balance:
---------------------------------
g/h mol/h percent
Influent 1.00E+001 5.4E-002 100.00
Primary sludge 5.06E+000 2.7E-002 50.57
Waste sludge 3.00E+000 1.6E-002 30.04
Primary volatilization 1.73E-003 9.3E-006 0.02
Settling volatilization 4.06E-003 2.2E-005 0.04
Aeration off gas 1.09E-002 5.9E-005 0.11
Primary biodegradation 1.51E-002 8.1E-005 0.15
Settling biodegradation 3.88E-003 2.1E-005 0.04
Aeration biodegradation 5.11E-002 2.7E-004 0.51
Final water effluent 1.85E+000 9.9E-003 18.52
Total removal 8.15E+000 4.4E-002 81.48
Total biodegradation 7.00E-002 3.8E-004 0.70
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.