o-Thiocresol

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Names

[ CAS No. ]:
137-06-4

[ Name ]:
o-Thiocresol

[Synonym ]:
2-toluenethiol
o-Toluenethiol
MFCD00004838
toluenethiol
o-Thiocresol
o-Toluenethiole
EINECS 205-276-8
o-Mercaptotoluene
Benzenethiol, 2-methyl-
2-Methylthiophenol
o-methylbenzenethiol
2-THIOCRESOL
o-Tolyl mercaptan
2-Mercaptotoluene
2-Methylbenzenethiol
Benzenethiol,2-methyl
2-Methylbenzenethiol,o-Thiocresol

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
195.0±0.0 °C at 760 mmHg

[ Melting Point ]:
10-12 °C(lit.)

[ Molecular Formula ]:
C₇H₈S

[ Molecular Weight ]:
124.203

[ Flash Point ]:
63.9±0.0 °C

[ Exact Mass ]:
124.034668

[ PSA ]:
38.80000

[ LogP ]:
2.98

[ Vapour Pressure ]:
0.6±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.578

[ Water Solubility ]:
insoluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XT8750000

CHEMICAL NAME :: o-Toluenethiol

CAS REGISTRY NUMBER :: 137-06-4

BEILSTEIN REFERENCE NO. :: 0774068

LAST UPDATED :: 199709

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H8-S

MOLECULAR WEIGHT :: 124.21

WISWESSER LINE NOTATION :: SHR B1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

Safety Information

[ Symbol ]:

GHS05, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H315-H318-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S26-S39-S36/37/39

[ RIDADR ]:
2810

[ WGK Germany ]:
3

[ RTECS ]:
XT8750000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
29309070

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2-Bromotoluene
4-Iodotoluene
Dimethyl disulfide
Phenol
Disulfide,bis(2-methylphenyl)
2-Methylbenzyl mercaptan
Toluene
S-o-tolyl dimethylcarbamothioate
o-cresol

DownStream

7-methyl-benzothiophene
N,N-Diethyl-o-(isopropylsulfonyl)benzamide
4-Phenyl-2-butanol
(2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-(otolylthio)tetrahydro-2H-pyran-3,4,5-triyl triacetate
alpha-D-Glucose pentaacetate
4H-1-Benzothiopyran-4-one,2,3-dihydro-8-methyl-
Benzene,1-methyl-2-(2-propen-1-ylthio)-
(4-methylsulfanylphenyl)-phenylmethanone

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

4-tert-Butyl-o-thiocresol
O-butyl butoxycarbothioylsulfanylmethoxymethylsulfanylmethanethioate
O-methyl-N,N-dimethylamidophosphorothiochloridate
[o-[5-[2-hydroxy-5-[(m-sulphamoylphenyl)sulphamoyl]phenyl]-3-phenyl-1-formazano]benzoato(2-)]copper
o-Nitrobenzyl-5 tetrahydro-5,6,7,7a 4H-thieno(3,2-c)pyridinone-2 oxala te [French]
O-(OCTYLPHOSPHORYL)CHOLINE SOLUTION
1-(4-fluoro-2-methylphenyl)-N-methylmethanesulfonamide
1-(2,4-dimethylphenyl)-N-methylethane-1-sulfonamide
1-[3-(methoxymethyl)phenyl]-N-methylmethanesulfonamide
1-(2-methoxyphenyl)-N-methylethane-1-sulfonamide
N-methyladamantane-2-sulfonamide
1-(4-fluorophenyl)-N-methylpropane-2-sulfonamide
4-(Chloromethyl)-4-(ethoxymethyl)cyclopent-1-ene
4-(Chloromethyl)-4-[2-(methylsulfanyl)ethyl]cyclopent-1-ene
4-(Chloromethyl)-4-(3-methylbutyl)cyclopent-1-ene
4-(Chloromethyl)-4-(2-methylbutyl)cyclopent-1-ene

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