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11067-81-5

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Basic Information
CAS No.: 11067-81-5
Name: tetrapropylenebenzenesulphonic acid
Molecular Structure:
Molecular Structure of 11067-81-5 (tetrapropylenebenzenesulphonic acid)
Formula: C18H30 O3 S
Molecular Weight: 326.54
Synonyms: StepantanH 100;TPBS;Tetrapropylenebenzenesulfonic acid;
EINECS: 234-288-6
Density: 1.023g/cm3
Boiling Point: 428.5°Cat760mmHg
Flash Point: 213°C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of SOx.
PSA: 51.75000
LogP: 6.39360
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Chemistry

Molecule structure of Tetrapropylene benzenesulfonate (CAS NO.11067-81-5) :

Molecular Weight: 318.43048 g/mol
Molecular Formula: C18H22O3S
EINECS: 234-288-6
XLogP3-AA: 1.8
H-Bond Acceptor: 3
Exact Mass: 318.128965
MonoIsotopic Mass: 318.128965
Topological Polar Surface Area: 43.4
Heavy Atom Count: 22
Complexity: 623
Undefined Atom StereoCenter Count: 5
Covalently-Bonded Unit Count: 1 
log P (octanol-water): 6.320
Water Solubility: 0.034 mg/L 
Vapor Pressure: 1.33E-07 mm Hg 
Henry's Law Constant: 1.82E-05 atm-m3/mole 
Atmospheric OH Rate Constant: 1.53E-11 cm3/molecule-sec 
 

Toxicity Data With Reference

1.    

orl-rat LD50:1 g/kg

     TXAPA9    Toxicology and Applied Pharmacology. 18 (1971),83.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of SOx.

Specification

 Tetrapropylene benzenesulfonate (CAS NO.11067-81-5) is also called Tetrapropylene benzene sulfonate ; Tetrapropylene benzenesulphonate ; Tetrapropylenebenzenesulfonic acid ; Benzenesulfonic acid, tetrapropylene- ; Tetrapropylenebenzenesulphonic acid .