3-METHYLTHIOANISOLE

Modify Date: 2024-01-03 11:43:37

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

 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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