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632-15-5

632-15-5 Structure

632-15-5 Structure
IdentificationBack Directory
[Name]

3,4-DIMETHYLTHIOPHENE
[CAS]

632-15-5
[Synonyms]

3,4-DIMETHYLTHIOPHENE
Thiophene,3,4-diMethyl-
DiMethylthiophene (Me2Thio)
3,4-DIMETHYLTHIOPHENE ISO 9001:2015 REACH
[Molecular Formula]

C6H8S
[MDL Number]

MFCD01764731
[MOL File]

632-15-5.mol
[Molecular Weight]

112.19
Questions And AnswerBack Directory
[Synthesis]

3,4-Dimethylthiophene can be prepared from tetraethoxycarbonylethane and dichloromethyl sulfide. The ester is reduced with LAH to give a diol, and the diacetate is directly pyrolyzed to give 3,4-dimethylthiophene.

Preparation of 3,4-Dimethylthiophene

Chemical PropertiesBack Directory
[Melting point ]

50-54℃
[Boiling point ]

147℃
[density ]

1.006
[FEMA ]

4645 | 3,4-DIMETHYLTHIOPHENE
[refractive index ]

1.5187
[Fp ]

>110℃
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

liquid (estimate)
[Odor]

savory roasted onion
[JECFA Number]

2110
[InChI]

InChI=1S/C6H8S/c1-5-3-7-4-6(5)2/h3-4H,1-2H3
[InChIKey]

GPSFYJDZKSRMKZ-UHFFFAOYSA-N
[SMILES]

C1SC=C(C)C=1C
[LogP]

2.82
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H226-H319-H335-H302+H312+H332-H315
[Precautionary statements ]

P210-P241-P280
[Hazard Codes ]

Xn
[Risk Statements ]

22-36-43
[Safety Statements ]

26-36/37
[RIDADR ]

1993
[HazardClass ]

3
[PackingGroup ]

Ⅲ
[HS Code ]

2934999090
Hazard InformationBack Directory
[Uses]

3,4-Dimethylthiophene is used in dry onion preparation for seasoning.
[Definition]

ChEBI: 3,4-dimethylthiophene is a thiophene that is substituted by methyl groups at positions 3 and 4. It has a role as a flavouring agent, a plant metabolite and a human urinary metabolite.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 27, p. 869, 1962 DOI: 10.1021/jo01050a043
Spectrum DetailBack Directory
[Spectrum Detail]

3,4-DIMETHYLTHIOPHENE(632-15-5)1HNMR
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