Ethyl 4-methylbenzenesulfonate

Modify Date: 2024-01-02 13:29:57

Ethyl 4-methylbenzenesulfonate Structure
Ethyl 4-methylbenzenesulfonate structure
Common Name Ethyl 4-methylbenzenesulfonate
CAS Number 80-40-0 Molecular Weight 200.25
Density 1.2±0.1 g/cm3 Boiling Point 306.2±11.0 °C at 760 mmHg
Molecular Formula C9H12O3S Melting Point 29-33 °C(lit.)
MSDS Chinese USA Flash Point 157.8±0.0 °C

 Use of Ethyl 4-methylbenzenesulfonate


Ethyl 4-methylbenzenesulfonate (Ethyl p-toluenesulfonate) is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

 Names

Name Ethyl 4-Methylbenzenesulfonate
Synonym More Synonyms

 Ethyl 4-methylbenzenesulfonate Biological Activity

Description Ethyl 4-methylbenzenesulfonate (Ethyl p-toluenesulfonate) is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Related Catalog

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 306.2±11.0 °C at 760 mmHg
Melting Point 29-33 °C(lit.)
Molecular Formula C9H12O3S
Molecular Weight 200.25
Flash Point 157.8±0.0 °C
Exact Mass 200.050720
PSA 51.75000
LogP 1.83
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.513
Water Solubility Insoluble

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT6825000
CHEMICAL NAME :
p-Toluenesulfonic acid, ethyl ester
CAS REGISTRY NUMBER :
80-40-0
BEILSTEIN REFERENCE NO. :
0611213
LAST UPDATED :
199710
DATA ITEMS CITED :
17
MOLECULAR FORMULA :
C9-H12-O3-S
MOLECULAR WEIGHT :
200.27
WISWESSER LINE NOTATION :
2OSWR 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 :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3250 mg/kg/65W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
Sex chromosome loss and nondisjunction

MUTATION DATA

TYPE OF TEST :
Morphological transformation
TEST SYSTEM :
Rodent - hamster Embryo
DOSE/DURATION :
500 ug/L
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 1,323,1980

 Safety Information

Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn:Harmful;
Risk Phrases R22;R36/37/38;R40
Safety Phrases S26-S45-S36/37/39
RIDADR UN2811
WGK Germany 3
RTECS XT6825000
Packaging Group III
Hazard Class 6.1
HS Code 29041000

 Synthetic Route

 Customs

HS Code 29041000

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 Synonyms

Benzenesulfonic acid, 4-methyl-, ethyl ester
ethyl p-toluenesulfonate
EINECS 201-276-7
Ethyl 4-methylbenzenesulfonate
MFCD00009100