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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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Reference substances

Reference substances

Currently viewing:
IUPAC name:
sodium 4-(6-ethyldecyl)benzenesulfonate

Inventory

EC number:
271-808-0
EC name:
Benzenesulfonic acid, mono-C11-13-branched alkyl derivs., sodium salts
CAS number:
68608-89-9
Description:
This substance is identified by SDA Substance Name: C11-C13 branched alkyl benzene sulfonic acid sodium salt and SDA Reporting Number: 25-097-04.
CAS number:
68608-89-9
Synonyms
Names:
Benzenesulfonic acid, mono-C11-13-branched alkyl derivs., sodium salts
Identifier:
IUPAC name
Benzenesulfonic acid, mono-C11-13-branched alkyl derivs., sodium salt
Identifier:
IUPAC name
Benzenesulfonic acid, mono-C11-13-branched alkyl derivs., sodium salts
Identifier:
other: Molecular formula
C7H7(CH2)nSO3Na (with n=10-12, branched)
Identifier:
other: Molecular formula
C17H27NaO3S - C19H31NaO3S
Identifier:
other: SMILES notation
CC(C)CC(C)CC(C)CC(C)c1ccc(S(=O)(=O)O[Na])cc1
Identifier:
other: Molecular formula
CnH(2n-1)C6H4SO3Na with n = 11-13, branched
Identifier:
other: SMILES notation
N/A
Identifier:
other: InChl
N/A
Identifier:
other: SMILES notation
Not applicable (i.e., UVCB substance)
Identifier:
other: InChl
Not applicable (i.e., UVCB substnace)

Molecular and structural information

Molecular formula:
C7H7(CH2)nSO3Na (with n=10-12, branched)
Molecular weight:
348.48
SMILES notation:
[Na+].CCCCC(CC)CCCCCc1ccc(cc1)S(=O)(=O)[O-]
InChl:
InChI=1/C18H30O3S.Na/c1-3-5-9-16(4-2)10-7-6-8-11-17-12-14-18(15-13-17)22(19,20)21;/h12-16H,3-11H2,1-2H3,(H,19,20,21);/q;+1/p-1
Structural formula:
Chemical structure

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