Basic information
- CAS
27176-87-0- Standard SMILES
CCCCCCCCCCCCc1ccccc1S(=O)(=O)O- InChIKey
WBIQQQGBSDOWNP-UHFFFAOYSA-N- Molecular formula
- C18H30O3S
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.19156582
Overview
2-dodecylbenzenesulfonic acid is a member of the class dodecylbenzenesulfonic acids that is benzenesulfonic acid in which the hydrogen at position 2 of the phenyl ring is substituted by a dodecyl group. It has a role as an animal metabolite.
Names & identifiers
- Preferred name
- Dodecylbenzenesulphonic acid
- IUPAC
- 2-dodecylbenzenesulfonic acid
- English name
- Dodecylbenzenesulphonic acid
- Molecular formula
- C18H30O3S
- Molecular weight
- 326.49
Names & synonyms
Dodecylbenzenesulphonic acidRefChem:5903252-DODECYLBENZENESULFONIC ACIDo-dodecylbenzenesulfonic acidBenzenesulfonic acid, 2-dodecyl-47221-31-82-dodecylbenzene-1-sulfonic acid2-dodecylbenzenesulphonic acidQMO4A07H35C18H30O3SDodecylbenzenesulfonic ADodecylbenzenesulfonic Acid (70 wt. % in isopropanol, Technical grade, Mixture of different chain lengths)
Show more names
LINEAR ALKYL BENZENE4-DODECYLBENZENESULFONIC ACIDDODECYLBENZENESULFONIC ACIDDODECYLBENZENESULFONATEN-DODECYLBENZENESULFONIC ACIDDDBSAhuangsuanNAXEL AAS-98S
DBSAUNII-QMO4A07H35SCHEMBL24533dodecyl benzene sulphonic acidorb1705320SCHEMBL1714372SCHEMBL6471485SCHEMBL29692221
Database identifiers
- CAS
27176-87-0、47221-31-8
Properties
Computed structural properties
- XLogP
- 6.9
- 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
- 359
Experimental & physicochemical properties
DrugsPharmaceuticals
SurfactantsSurfactant
Physicochemical properties
- Melting point
- 10 °C · 10°C
- Boiling point
- 82 °C · 82 °C
- Density
- 1.06 g/mL · 1.06 g/mL at 20 °C(lit.)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 20 · n20/D 1.51
- Flash point
- 85 °F · 85 °F
- storage temp.
- 2 · 2-8°C
- solubility
- water, alcohols, glycol ethers, glycols, esters, ketones, aromatic and aliphatic hydrocarbons: soluble
- pka
- 0.7 · 0.7[at 20 ℃]
- form
- Colourless Solution
- color
- Colorless to light yellow
- Water Solubility
- 100 mg/L · 100mg/L at 25℃
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.3% (6 of 1772) of reports.
Danger
H302 (99.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P262, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1772 reports by companies from 32 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory InformationStatus: Active Update: 12-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11796
Hazard Classes and Categories
Acute Tox. 4 (99.6%)
Acute toxicity (Oral) - Category 4
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- DB6600000
- ridadr
- UN 2924 3/PG 3
- hs_code
- 34021100
- risk_code
- 34-22-10-67
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39-45-16
- hazard_class
- 8
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
DescriptionDodecylbenzenesulfonic acid is a light yellowto brown liquid with a slight SO2 odor. Molecularweight= 326.54; Boiling point = 315℃; Freezing/Meltingpoint = 10℃. Hazard Identification (based on NFPA-704 MRating System): Health 3, Flammability 1, Reactivity 1.Soluble in water.
UsesDopant for conducting polymers strong acid catalyst for amino cross-linked coatings
General DescriptionDodecylbenzenesulphonic acid is a colorless liquid. Dodecylbenzenesulphonic acid is soluble in water. Dodecylbenzenesulphonic acid is corrosive to metals and tissue. Dodecylbenzenesulphonic acid is used to make detergents.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
27 records
Compound notes
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