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Diss Factsheets
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EC number: 211-706-5 | CAS number: 688-74-4
- 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
Phototransformation in air
Administrative data
- Endpoint:
- phototransformation in air
- Type of information:
- other: (Q)SAR on hydrolysis product n-butanol
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Data source
Reference
- Reference Type:
- other: estimation software
- Title:
- US EPA. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11. United States Environmental Protection Agency, Washington, DC, USA; AOPWIN™ Version 1.92 (2010)
- Author:
- U.S. Environmental Protection Agency 1200 Pennsylvania Ave., N.W. (Mail Code 7406M) Washington, DC 20460
- Year:
- 2 012
- Bibliographic source:
- http://www.epa.gov/oppt/exposure/pubs/episuite.htm
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs Chapter R.6 , May 2008
- Deviations:
- not applicable
- Principles of method if other than guideline:
- The phototransformation in air of the substance was calculated using the Atmospheric Oxidation Program (AOPWIN v.1.92 by US EPA), which estimates the rate constant for the atmospheric, gas-phase reaction between photochemically produced hydroxyl radicals and organic chemicals. The rate constants estimated by the program are then used to calculate atmospheric half-lives for organic compounds based upon average atmospheric concentrations of hydroxyl radicals and ozone.
Test material
- Reference substance name:
- Butan-1-ol
- EC Number:
- 200-751-6
- EC Name:
- Butan-1-ol
- Cas Number:
- 71-36-3
- Molecular formula:
- C4H10O
- IUPAC Name:
- butan-1-ol
Constituent 1
Study design
- Estimation method (if used):
- The phototransformation rates and half-lives were calculated using AOPWIN v1.92. The substance n-butanol falls in the applicability domain of the model.
- Light source:
- other: not applicable
- Details on light source:
- Calculated data
- Details on test conditions:
- Theoretical conditions applied to calculations:
- 25°C
- 12 hrs day
- 1.5 x 10^6 OH/cm3
Results and discussion
- Preliminary study:
- not applicable
- Test performance:
- not applicable
Dissipation half-life of parent compound
- Key result
- DT50:
- 1.55 h
- Test condition:
- calculated value
- Transformation products:
- not specified
- Results with reference substance:
- not applicable
Any other information on results incl. tables
Table 1. AOPWIN v.1.92 results for n-butanol
SMILES : OCCCC
CHEM : 1-Butanol
MOL FOR: C4 H10 O1
MOL WT : 74.12
------------------- SUMMARY (AOP v1.92): HYDROXYL RADICALS (25 deg C) --------
Hydrogen Abstraction = 6.7500 E-12 cm3/molecule-sec
Reaction with N, S and -OH = 0.1400 E-12 cm3/molecule-sec
Addition to Triple Bonds = 0.0000 E-12 cm3/molecule-sec
Addition to Olefinic Bonds = 0.0000 E-12 cm3/molecule-sec
Addition to Aromatic Rings = 0.0000 E-12 cm3/molecule-sec
Addition to Fused Rings = 0.0000 E-12 cm3/molecule-sec
OVERALL OH Rate Constant = 6.8900 E-12 cm3/molecule-sec
HALF-LIFE = 1.552 Days (12-hr day; 1.5E6 OH/cm3)
HALF-LIFE = 18.629 Hrs
------------------- SUMMARY (AOP v1.91): OZONE REACTION (25 deg C) -----------
****** NO OZONE REACTION ESTIMATION ******
(ONLY Olefins and Acetylenes are Estimated)
Experimental Database Structure Match:
Chem Name : 1-Butanol
CAS Number: 000071-36-3
Exper OH rate constant : 8.57 E-12 cm3/molecule-sec
Exper OH Reference: KWOK,ESC & ATKINSON,R (1994)
Exper Ozone rate constant: --- cm3/molecule-sec
Exper NO3 rate constant : --- cm3/molecule-sec
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- half-life of 1-butanol: 1.552 d (12-hr day; 1.5E6 OH/cm3)
- Executive summary:
The phototransformation in air was estimated by AOPWIN v1.92 (EPIWIN software).
The phototransformation rate is 6.89 x 10-12 cm3/molecule/sec. The calculated half-life is 1.552 d (12-hr day; 1.5 x 106 OH/cm3)
This value is below the trigger limit (2 days). Therefore, the substance is not considered to be persistent.
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