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Thioanisole

Thioanisole structure

CAS No:
100-68-5
Formula:
C7H8S
Chemical Name:
Thioanisole
Synonyms:
Benzene,(methylthio)-;Sulfide,methyl phenyl;(Methylthio)benzene;Anisole,thio-;Methyl phenyl sulfide;Phenyl methyl sulfide;Thioanisole;1-Phenyl-1-thiaethane;Methylphenyl thioether;Thioanisol;Phenylthiomethane;NSC 57916;Phenyl methyl thioether;Methyl phenyl sulfane;(Methylsulfanyl)benzene
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

Colorless to yellow liquid Methyl phenyl sulfide has an unpleasant odor.

Thioanisole is an organic compound with the formula CH3SC6H5. It is a colorless liquid, which is soluble in organic solvents. It is the simplest alkyl-aryl thioether. The name indicates that this compound is the sulfur-analogue of methoxybenzene, anisole.

Liquid|colourless or slightly yellow liquid with unpleasant odour

Thioanisole is an aryl sulfide that is thiophenol in which the hydrogen of the thiol group has been replaced by a methyl group. It is an aryl sulfide and a member of benzenes. It derives from a thiophenol.

Thioanisole Basic Attributes

Molecular Weight：

124.2

Exact Mass：

124.20

BRN：

1904179

EC Number：

202-878-2

UNII：

BB4K737YF4

NSC Number：

57916

DSSTox ID：

DTXSID8059217

HScode：

29309070

Characteristics

PSA：

25.3

XLogP3：

2.74

Appearance：

Clear light yellow to brown-yellow Liquid

Density：

1.0533 g/cm³ @ Temp: 25 °C

Melting Point：

127 °C

Boiling Point：

193 °C

Flash Point：

135 °F

Refractive Index：

n 20/D 1.587(lit.)

Water Solubility：

H2O: INsoluble

Storage Conditions：

2-8°C

Vapor Pressure：

38.5 Pa (20 °C)

Toxicity：

LD50 orally in Rabbit: 891 mg/kg

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

26-36/39-36/37

RTECS Number：

DA6200000

Marks：

Hazard note：

Harmful/Stench

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

RIDADR：

UN 1993

GHS Classification：

|Warning|H302 (99.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 149 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Oral	Rodent - rat	891 mg/kg	Details of toxic effects not reported other than lethal dose value--	Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year: 1,356,1971
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Intravenous	Rodent - mouse	56 mg/kg	Details of toxic effects not reported other than lethal dose value--	U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00184

Drug Information

MeSH Entry Terms：

methyl phenyl sulfide

Thioanisole Use and Manufacturing

Uses

Thioanisole is an important raw material of light curing initiator UV-907.
High efficiency startup agent, used for acid catalytic cracking of N-Z and protective groups of O-benzyl and O-methyl.
Thioanisole is used as pesticide, medicine, dye intermediate.
Intermediate, solvent for polymeric systems.

Manufacturing Info：

Benzene, (methylthio)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:124.21
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:124.03467143
Monoisotopic Mass:124.03467143
Topological Polar Surface Area:25.3
Heavy Atom Count:8
Complexity:55.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

56160-67-9

106139-97-3

1126-80-3

108-98-5

1126-80-3

Recommended Suppliers of Thioanisole

Hangzhou Go Top Peptide Biotech Co.,Ltd. Contact Supplier

CN
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Manufactory Supplier of Pharmaceutical Peptide,Cosmetic peptide,Custom peptides,API polypeptide,Amino acids and derivatives

Anisole

CAS No.: 100-68-5

Grade: Research and Industrial Grade

Content: 98.00%

Inquiry
Shaanxi Dideu Medichem Co. Ltd Contact Supplier

CN
5 YRS

Business licensed Certified factory

Manufactory Supplier of Chemical Pesticides,Food Additives,Agrochemicals,Active Pharm Ingredients,Flavors and Fragrances,Chemical Catalyst,Chemical Materials,Chem&Pharm Intermediates,Organic Intermediates,Feed Additive

High Quality 99% Purity of Thioanisole CAS NO 100-68-5 ISO 9001:2005 REACH Verified Producer

CAS No.: 100-68-5

Grade: Industrial Grade

Content: 99%

Inquiry

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Guide of Thioanisole

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Synthesis Route
Recommended Suppliers
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Thioanisole

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