Basic information
- CAS
121-65-3- Standard SMILES
CCCCCCCCCCCCc1ccc(S(=O)(=O)O)cc1- InChIKey
KWXICGTUELOLSQ-UHFFFAOYSA-N- Molecular formula
- C18H30O3S
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.19156582
Overview
4-dodecylbenzenesulfonic acid is a member of the class dodecylbenzenesulfonic acids that is benzenesulfonic acid in which the hydrogen at position 4 of the phenyl ring is substituted by a dodecyl group.
Names & identifiers
- Preferred name
- p-Dodecylbenzenesulfonic acid
- IUPAC
- 4-dodecylbenzenesulfonic acid
- English name
- Dodecylbenzenesulfonic acid
- Molecular formula
- C18H30O3S
- Molecular weight
- 326.49
Names & synonyms
4-DODECYLBENZENESULFONIC ACID121-65-3p-dodecylbenzenesulfonic acidBenzenesulfonic acid, 4-dodecyl-4-Dodecylbenzene-1-sulfonic aciddodecyl benzenesulfonic acidp-Dodecylbenzenesulphonic acidOC21S23N1OEINECS 204-489-3DTXSID8050443CHEBI:149776NSC-85535
Show more names
DDBSANSC 85535NAXEL AAS-98SALKYLARYLSULFONIC ACIDALKYLBENZENESULFONIC ACIDp-Dodecylbenzolsulfonsaure4-dodecyl-benzenesulfonicaciN-DODECYLBENZENESULFONIC ACID
BENZENESULFONIC ACID, P-DODECYL-RefChem:858061DTXCID8029812MFCD00066677Dodecylbenzenesulfonic Acid (mixture of isomers) (Technical Grade)UNII-OC21S23N1ONCIOpen2_009334NCIOpen2_009442
Database identifiers
- CAS
121-65-3、27176-87-0- PubChem CID
- 8485
- DTXSID
DTXSID8050443
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 351
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
DensityRelative density (water = 1): 1
SolubilitySolubility in water: very good
Flash Point148.9 °C o.c.
Decomposition>204.5 °C
Melting Point10 °C
Physical DescriptionYELLOW-TO-BROWN LIQUID.
Physicochemical properties
- Boiling point
- 82 °C · 82 °C
- Density
- 1.06 g/mL · 1.06 g/mL at 20 °C (lit.)
- refractive index
- 20 · n20/D 1.51
- Flash point
- 85 °F · 85 °F
- storage temp.
- Sealed in dry,Room Temperature
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 30 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Regulatory Information
Chemical: Benzenesulfonic acid, 4-dodecyl-
Benzenesulfonic acid, 4-dodecyl-: 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.
Other Safety InformationIMAP assessments - Linear alkylbenzenesulfonic acids (C10-C16): Human health tier II assessment
Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire.
UN ClassificationUN Hazard Class: 8; UN Pack Group: III
Chemical DangersDecomposes above 205 °C . This produces toxic fumes including sulfur oxides and hydrogen sulfide. Reacts with bases and oxidants. This produces sulfur oxides. This generates toxic hazard. Attacks metals.
Packaging and LabellingDo not transport with food and feedstuffs.
Hazard Classes and Categories
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Household ProductsInformation on 3 consumer products that contain p-Dodecylbenzenesulfonic acid in the following categories is provided:
General Manufacturing InformationBenzenesulfonic acid, 4-dodecyl-: ACTIVE
Applications
Uses4-Dodecylbenzenesulfonic acid (p-dodecylbenzenesulfonic acid, DBSA) may be used:As a solvent for the synthesis of 2-(1,5-diaryl-1,4-pentadien-3-ylidene)-hydrazinecarboximidamide hydrochlorides.In situ coating of rutile nanoparticles.As a stabilizer in the preparation of colloidal CdS.In the fabrication of solid-state dye-sensitized solar cells (DSSCs).
General Description4-Dodecylbenzenesulfonic acid (DBSA) is an alkyl sulfonate. It participates in the preparation of a polymer along with polystyrene-block-poly(4-vinylpyridine) and a comb-coil A-block-(B-graft-C) type of copolymer.
Upstream & downstream products
Downstream products
Suppliers64 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Related reactions
2 records
Compound notes
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