CAS No.108-40-7,3-Methylbenzenethiol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	108-40-7
Name:	3-Methylbenzenethiol
Article Data:	29

Formula:	C₇H₈S
Molecular Weight:	124.207
Synonyms:	m-Toluenethiol(8CI);(3-Methylphenyl)thiol;3-Mercaptotoluene;m-Toluenethiol;3-Methylphenyl mercaptan;3-Methylthiophenol;NSC 81219;m-Mercaptotoluene;m-Methylbenzenethiol;m-Methylthiophenol;m-Thiocresol;m-Tolyl mercaptan;m-Tolylthiol;Benzenethiol, 3-methyl-;
EINECS:	203-578-4
Density:	1.049 g/cm³
Melting Point:	<-20 °C
Boiling Point:	195 °C at 760 mmHg
Flash Point:	72.8 °C
Solubility:	Insoluble in water
Appearance:	clear colorless to light yellow liquid
Hazard Symbols:	Xn, Xi
Risk Codes:	37/38-41-36/37/38-20/21/22
Safety:	26-39-36/37/39
Transport Information:	UN 2810
PSA:	38.80000
LogP:	2.28370

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Chemistry

IUPAC Name: 3-Methylbenzenethiol
Canonical SMILES: CC1=CC(=CC=C1)S
InChI: InChI=1S/C7H8S/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
InChIKey: WRXOZRLZDJAYDR-UHFFFAOYSA-N
Molecular Weight: 124.20342 [g/mol]
Molecular Formula: C₇H₈S
XLogP3: 2.8
EINECS: 203-578-4
Sensitive: Stench
Appearance: clear colorless to light yellow liquid
Melting Point: <-20 °C
Index of Refraction: 1.577
Molar Refractivity: 39.25 cm³
Molar Volume: 118.3 cm³
Surface Tension: 37.8 dyne/cm
Density: 1.049 g/cm³
Flash Point: 72.8 °C
Enthalpy of Vaporization: 41.36 kJ/mol
Boiling Point: 195 °C at 760 mmHg
Vapour Pressure: 0.601 mmHg at 25 °C
Product Categories of m-Toluenethiol (CAS NO.108-40-7): Phenol & Thiophenol & Mercaptan

Toxicity Data With Reference

ipr-mus LD50:50 mg/kg

NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 .

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of SO_x.
Hazard Codes: Xi, Harmful Xn
Risk Statements: 41-36/37/38-20/21/22
R41:Risk of serious damage to eyes ;
R36/37/38:Irritating to eyes, respiratory system and skin ;
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed ;
Safety Statements: 26-36/37/39
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice ;
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection ;
RIDADR: UN2810
WGK Germany: 3
RTECS: XT8700000
Hazard Note: Harmful/Irritant/Stench
TSCA: T
HazardClass: 6.1
PackingGroup of m-Toluenethiol (CAS NO.108-40-7): III

Specification

m-Toluenethiol (CAS NO.108-40-7), its Synonyms are m-Toluenethiol(8CI) ; (3-Methylphenyl)thiol ; 3-Mercaptotoluene ; 3-Methylbenzenethiol ; 3-Methylphenyl mercaptan ; 3-Methylthiophenol ; Benzenethiol, 3-methyl- .