3-METHYLTHIOANISOLE

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Names

[ CAS No. ]:
4886-77-5

[ Name ]:
3-METHYLTHIOANISOLE

[Synonym ]:
3-Methylthioanisole
3-Methyl methylthiophenol
Methyl-m-tolyl-sulfid
m-Methylthioanisole
m-CH3C6H4SCH3
m-tolylmethylsulfide
SULFIDE,METHYL m-TOLYL
3-Methylthiotoluene
Methyl m-tolyl sulfide

Chemical & Physical Properties

[ Density]:
1.01 g/cm3

[ Boiling Point ]:
199.6ºC at 760 mmHg

[ Molecular Formula ]:
C8H10S

[ Molecular Weight ]:
138.23000

[ Flash Point ]:
73.6ºC

[ Exact Mass ]:
138.05000

[ PSA ]:
25.30000

[ LogP ]:
2.71690

[ Index of Refraction ]:
1.558

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WQ5550000
CHEMICAL NAME :
Sulfide, methyl m-tolyl
CAS REGISTRY NUMBER :
4886-77-5
BEILSTEIN REFERENCE NO. :
2040355
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H10-S
MOLECULAR WEIGHT :
138.24
WISWESSER LINE NOTATION :
1SR C1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intracerebral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
13 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCBPBS Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year: 8,302,1978

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Dimethyl disulfide
  • m-tolylmagnesium bromide
  • 3-Bromothioanisole
  • methyl iodide
  • 3-Iodotoluene
  • Dimethyl sulfoxide
  • 4-Methylthiophenol
  • Dimethyl sulfate
  • Acetic acid, (m-tolylthio)- (8CI)
  • N,N''-DICYCLOHEXYL-O-METHYLISOUREA)

DownStream

  • methyl p-toluate
  • 2-Methylbenzoic acid
  • 4-Methylbenzoic acid
  • Methyl o-methylbenzoate
  • 3-Methylsulfonyl benzoic acid
  • 4-Methylthiophenol
  • 1-bromo-2-methyl-4-methylsulfonylbenzene
  • 1-Methyl-3-(methylsulfonyl)benzene
  • Acetic acid, (m-tolylthio)- (8CI)

Related Compounds

  • 4-bromo-3-methylthioanisole
  • 3-(1-thiophen-3-ylpropyl)thiophene
  • 3-[(4-chloro-3-methyl-phenoxy)methyl]-5-(4-fluorophenyl)-4-(4-methylph enyl)-1,2,4-triazole
  • 3-CHLORO-4-(ISOPROPYLSULFONYL)THIOPHENE-2-CARBOXYLIC ACID
  • 3-[(4-chloro-3-methylphenoxy)methyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole
  • 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazole
  • 1-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-3-(fluoromethyl)piperidine
  • N-ethyl-5-{2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-octahydropyrrolo[3,4-c]pyrrole-2-carboxamide
  • 1-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonyl)-3-(fluoromethyl)piperidine
  • 4-(Fluoromethyl)-1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidine
  • 5-{2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-N-(propan-2-yl)-octahydropyrrolo[3,4-c]pyrrole-2-carboxamide
  • 4-(Fluoromethyl)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine
  • 5-{[4-(Fluoromethyl)piperidin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzoxazol-2-one
  • 1-(1-Benzothiophene-2-carbonyl)-4-(fluoromethyl)piperidine
  • 5-{2-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-N-(prop-2-en-1-yl)-octahydropyrrolo[3,4-c]pyrrole-2-carboxamide
  • 6-(4-Fluorophenyl)-2-[(oxan-3-yl)methyl]-2,3-dihydropyridazin-3-one
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