3-METHYLTHIOANISOLE

Modify Date: 2025-08-25 10:32:56

3-METHYLTHIOANISOLE Structure
3-METHYLTHIOANISOLE structure
 Common Name 3-METHYLTHIOANISOLE
CAS Number 4886-77-5 Molecular Weight 138.23000
Density 1.01 g/cm3 Boiling Point 199.6ºC at 760 mmHg
Molecular Formula C8H10S Melting Point N/A
MSDS N/A Flash Point 73.6ºC

 Names

Name 1-methyl-3-methylsulfanylbenzene
Synonym More Synonyms

 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
InChIKey HCQVSQDSAZSABA-UHFFFAOYSA-N
SMILES CSc1cccc(C)c1

 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

Dimethyl disulfide structure

Dimethyl disulfide

CAS#:624-92-0

m-tolylmagnesium bromide structure

m-tolylmagnesiu...

CAS#:28987-79-3

~68%

3-METHYLTHIOANISOLE Structure

3-METHYLTHIOANISOLE

CAS#:4886-77-5

Literature: ELI LILLY AND COMPANY Patent: WO2004/9086 A1, 2004 ; Location in patent: Page/Page column 45 ; WO 2004/009086 A1
3-Bromothioanisole structure

3-Bromothioanisole

CAS#:33733-73-2

methyl iodide structure

methyl iodide

CAS#:74-88-4

~77%

3-METHYLTHIOANISOLE Structure

3-METHYLTHIOANISOLE

CAS#:4886-77-5

Literature: Cabiddu, Maria G.; Cabiddu, Salvatore; Cadoni, Enzo; De Montis, Stefania; Fattuoni, Claudia; Melis, Stefana Tetrahedron, 2004 , vol. 60, # 17 p. 3915 - 3920
3-Iodotoluene structure

3-Iodotoluene

CAS#:625-95-6

Dimethyl sulfoxide structure

Dimethyl sulfoxide

CAS#:67-68-5

~95%

3-METHYLTHIOANISOLE Structure

3-METHYLTHIOANISOLE

CAS#:4886-77-5

Literature: Luo, Fang; Pan, Changduo; Li, Liping; Chen, Fan; Cheng, Jiang Chemical Communications, 2011 , vol. 47, # 18 p. 5304 - 5306
4-Methylthiophenol structure

4-Methylthiophenol

CAS#:108-40-7

Dimethyl sulfate structure

Dimethyl sulfate

CAS#:77-78-1

~%

3-METHYLTHIOANISOLE Structure

3-METHYLTHIOANISOLE

CAS#:4886-77-5

Literature: Chazin, Walter J.; Colebrook, Lawrence D. Magnetic Resonance in Chemistry, 1985 , vol. 23, # 7 p. 597 - 604
4-Methylthiophenol structure

4-Methylthiophenol

CAS#:108-40-7

~%

3-METHYLTHIOANISOLE Structure

3-METHYLTHIOANISOLE

CAS#:4886-77-5

Literature: Tanimoto, Shigeo; Oida, Tatsuo; Ikehira, Hideyuki; Okano, Masaya Bulletin of the Chemical Society of Japan, 1982 , vol. 55, # 6 p. 1977 - 1978
4-Methylthiophenol structure

4-Methylthiophenol

CAS#:108-40-7

methyl iodide structure

methyl iodide

CAS#:74-88-4

~%

3-METHYLTHIOANISOLE Structure

3-METHYLTHIOANISOLE

CAS#:4886-77-5

Literature: Hendriks, Christine M. M.; Lamers, Philip; Engel, Julien; Bolm, Carsten Advanced Synthesis and Catalysis, 2013 , vol. 355, # 17 p. 3363 - 3368
Acetic acid, (m-tolylthio)- (8CI) structure

Acetic acid, (m...

CAS#:3996-30-3

~%

3-METHYLTHIOANISOLE Structure

3-METHYLTHIOANISOLE

CAS#:4886-77-5

Literature: Gnanaraj; Rajagopal; Srinivasan Tetrahedron, 1994 , vol. 50, # 31 p. 9447 - 9456
4-Methylthiophenol structure

4-Methylthiophenol

CAS#:108-40-7

N,N''-DICYCLOHEXYL-O-METHYLISOUREA) structure

N,N''-DICYCLOHE...

CAS#:6257-10-9

~%

3-METHYLTHIOANISOLE Structure

3-METHYLTHIOANISOLE

CAS#:4886-77-5

Literature: Vowinkel,E. Synthesis, 1974 , p. 430 - 432

 Synonyms

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
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