Butyl 4-methylbenzenesulfonate

Modify Date: 2025-08-21 02:08:38

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

Name	Butyl p-toluenesulfonate
Synonym	More Synonyms

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
InChIKey	QYJXDIUNDMRLAO-UHFFFAOYSA-N
SMILES	CCCCOS(=O)(=O)c1ccc(C)cc1

Butyl 4-methylbenzenesulfonate MSDS(Chinese)

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

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

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose

Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose

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Benzenesulfonic acid, 4-methyl-, butyl ester

Butyl 4-methylbenzenesulfonate

EINECS 212-295-5

MFCD00027203