Butyl 4-methylbenzenesulfonate

Modify Date: 2024-01-02 18:46:17

Butyl 4-methylbenzenesulfonate Structure
Butyl 4-methylbenzenesulfonate structure
Common Name Butyl 4-methylbenzenesulfonate
CAS Number 778-28-9 Molecular Weight 228.308
Density 1.1±0.1 g/cm3 Boiling Point 335.4±11.0 °C at 760 mmHg
Molecular Formula C11H16O3S Melting Point N/A
MSDS N/A Flash Point 156.6±19.3 °C

 Names

Name Butyl p-toluenesulfonate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 335.4±11.0 °C at 760 mmHg
Molecular Formula C11H16O3S
Molecular Weight 228.308
Flash Point 156.6±19.3 °C
Exact Mass 228.082016
PSA 51.75000
LogP 2.89
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.506

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT6400000
CHEMICAL NAME :
p-Toluenesulfonic acid, butyl ester
CAS REGISTRY NUMBER :
778-28-9
BEILSTEIN REFERENCE NO. :
1428508
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C11-H16-O3-S
MOLECULAR WEIGHT :
228.33
WISWESSER LINE NOTATION :
4OSWR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ZEKBAI Zeitschrift fuer Krebsforschung. (Berlin, Fed. Rep. Ger.) V.1-75, 1903-71. For publisher information, see JCROD7. Volume(issue)/page/year: 74,241,1970
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 2,303,1950
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01764

 Safety Information

Hazard Codes Xn
Risk Phrases 36/37/38-22
Safety Phrases S37/39-S26
RTECS XT6400000

 Synthetic Route

 Synonyms

Benzenesulfonic acid, 4-methyl-, butyl ester
Butyl 4-methylbenzenesulfonate
EINECS 212-295-5
MFCD00027203
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