Thioanisole

Modify Date: 2025-08-21 16:55:53

Thioanisole Structure
Thioanisole structure
 Common Name Thioanisole
CAS Number 100-68-5 Molecular Weight 124.203
Density 1.0±0.1 g/cm3 Boiling Point 193.0±0.0 °C at 760 mmHg
Molecular Formula C7H8S Melting Point −15 °C(lit.)
MSDS Chinese USA Flash Point 57.2±0.0 °C
Symbol GHS07
GHS07		 Signal Word Warning

 Names

Name Thioanisole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 193.0±0.0 °C at 760 mmHg
Melting Point −15 °C(lit.)
Molecular Formula C7H8S
Molecular Weight 124.203
Flash Point 57.2±0.0 °C
Exact Mass 124.034668
PSA 25.30000
LogP 2.70
Vapour Pressure 0.7±0.3 mmHg at 25°C
Index of Refraction 1.569
InChIKey HNKJADCVZUBCPG-UHFFFAOYSA-N
SMILES CSc1ccccc1
Storage condition 2-8°C
Stability Stable. Combustible. Incompatible with strong oxidizing agents.
Water Solubility INSOLUBLE

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DA6200000
CHEMICAL NAME :
Benzene, (methylthio)-
CAS REGISTRY NUMBER :
100-68-5
LAST UPDATED :
199710
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C7-H8-S
MOLECULAR WEIGHT :
124.21
WISWESSER LINE NOTATION :
1SR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
891 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: 1,356,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00184

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn:Harmful;
Risk Phrases R22;R36/37/38
Safety Phrases S26-S36/39-S36/37
RIDADR UN 1993 3/PG 3
WGK Germany 3
RTECS DA6200000
Packaging Group III
Hazard Class 9
HS Code 29309070

 Synthetic Route

 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%

 Articles47

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 Synonyms

Methyl phenyl sulfide
methylsulfanylbenzene
methyl phenyl sulphide
Sulfide, methyl phenyl
(Methylthio)benzene
Methyl phenyl thioether
(Methylsulfanyl)benzene
Benzene, (methylthio)-
Methyl phenylsulfide
Methylthiobenzene
Phenylthiomethane
EINECS 202-878-2
MFCD00008559
Thioanisole
methyl-phenyl sulfide
methylphenylsulfide
Phenyl methyl sulfide
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