Basic information
- CAS
18777-54-3- Standard SMILES
CCCCCCCCCC(CC)c1ccc(S(=O)(=O)O)cc1- InChIKey
QJRVOJKLQNSNDB-UHFFFAOYSA-N- Molecular formula
- C18H30O3S
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.19156599
Names & identifiers
- Preferred name
- 4-(1-Ethyldecyl)benzenesulfonic acid
- IUPAC
- 4-dodecan-3-ylbenzenesulfonic acid
- English name
- Benzenesulfonic acid, C10-16-alkyl derivs.
- Molecular formula
- C18H30O3S
- Molecular weight
- 326.494
Names & synonyms
18777-54-34-(1-ETHYLDECYL)BENZENESULFONIC ACIDBenzenesulfonic acid, 4-(1-ethyldecyl)-RefChem:1069710242-564-2p-(3-Dodecyl)benzenesulphonic acidC10-C16alkylbenzenesulfonicacidNCGC00244580-013-(4-Sulfophenyl)dodecanep-(3-Dodecyl)benzenesulfonic acidEINECS 242-564-24-(Dodecan-3-yl)benzene-1-sulfonic acid
Show more names
inear aLC10-16-ALKYLBENZENESULFONICACIDC10-13DODECYLBENZENESULFONICACIDAlkylbenzenesulfonic acid(C10-16)(C10-C16)ALKYLBENZENESULPHONICACID4-dodecan-3-ylbenzenesulfonic acidAlkyl-(C10-C16)-benzenesulfonic acidBenzolsulfonsaure, C10-16-AlkylderivateDodecylbenzenesulfonic Acid (soft type)Benzenesulfonic acid, C10-16-alkyl derivs.
RM3PWQ3SCYDSSTox_RID_78612DSSTox_RID_78655DSSTox_GSID_27923DSSTox_GSID_28723SCHEMBL1048442CHEMBL1741127DTXSID7058670
Database identifiers
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Melting point
- -12 ° · -12°
- Boiling point
- 1042.61 ℃[at · 1042.61℃[at 101 325 Pa]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- RTECS
- 4290000 · DB4290000
- Flash point
- 211 °C · 211°C(lit.)
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- Liquid
- color
- Orange to Brown to Dark red
- Water Solubility
- 300 · It is soluble in water. 300,000 mg/L at 20°C .
- LogP
- 22.12 at · 22.12 at 25℃
- FDA UNII
- 60 NSK897G9 · 60NSK897G9
- Pesticides Freedom of Information Act (FOIA)
- 10 · C10-16-Alkylbenzene sulfonic acid
- EPA Substance Registry System
- 10 · Benzenesulfonic acid, C10-16-alkyl derivs. (68584-22-5)
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS08,GHS09
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationBenzenesulfonic acid, 4-(1-ethyldecyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- tsca
- TSCA listed
- ridadr
- 2586
- hs_code
- 2904.10.3700
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS08,GHS09
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H290-H302-H315-H317-H318-H371-H410-H312-H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Inactive
- Precautionary statements
- P234-P260-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352+P333+P313+P363-P305+P351+P338+P310-P308+P311-P390-P391-P405-P406-P501-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-(1-ethyldecyl)-: INACTIVE
Applications
UsesDodecyl Benzene Sulfonic Acid can be used in all types of household, industrial and institutional cleaners including laundry, dishwash, carwash, hard surface and general purpose detergents. It can also be utilized as an intermediate in preparation of emulsifiers and wetting and foaming agents. Unneutralized compound is an effective surfactant in acidic products such as liquid bowl, aluminum and dairy cleaners. It is an important raw material and intermediate used in Organic Synthesis, Pharma synthesis.
Suppliers3 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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