Ethyl 4-methylbenzenesulfonate
Names
[ CAS No. ]:
80-40-0
[ Name ]:
Ethyl 4-methylbenzenesulfonate
[Synonym ]:
Benzenesulfonic acid, 4-methyl-, ethyl ester
ethyl p-toluenesulfonate
EINECS 201-276-7
Ethyl 4-methylbenzenesulfonate
MFCD00009100
Biological Activity
[Description]:
[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
MSDS
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
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 29041000
Articles
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PET with selective adenosine 2A receptor (A2A) radiotracers can be used to study a variety of neurodegenerative and neuropsychiatric disorders in vivo and to support drug-discovery studies targeting A...
A generic approach for the determination of residues of alkylating agents in active pharmaceutical ingredients by in situ derivatization-headspace-gas chromatography-mass spectrometry.J. Pharm. Biomed. Anal. 45(3) , 472-9, (2007)
A simple, reliable and fast procedure for the simultaneous determination of residues of some common alkylating agents (AAs), such as mesylates, besylates, tosylates and sulfates, employed in drug synt...
Determination of methyl and ethyl esters of methanesulfonic, benzenesulfonic and p-toluenesulfonic acids in active pharmaceutical ingredients by solid-phase microextraction (SPME) coupled to GC/SIM-MS.J. Pharm. Biomed. Anal. 39(3-4) , 477-85, (2005)
The development, optimization and validation of an extraction method for methyl and ethyl esters of various sulfonic acids is presented. The extraction and determination of these esters in active phar...