ChemicalBook--->CAS DataBase List--->638-02-8

638-02-8

638-02-8 Structure

638-02-8 Structure
IdentificationMore
[Name]

2,5-Dimethylthiophene
[CAS]

638-02-8
[Synonyms]

2,5-DIMETHYLTHIOPHENE
2,5-DIMETHYLTHIOPHENE, 98.5%
2 5-DIMETHYLTHIOPHENE 98+%
2,5-Dimethylthiophene, 98.50%
Thiophene, 2,5-dimethyl-
2,5-DIMETHYTHIOPHENE
[EINECS(EC#)]

211-313-9
[Molecular Formula]

C6H8S
[MDL Number]

MFCD00005452
[Molecular Weight]

112.19
[MOL File]

638-02-8.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to slightly yellow liquid
[Melting point ]

-63°C
[Boiling point ]

134 °C/740 mmHg (lit.)
[density ]

0.985 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.512(lit.)
[Fp ]

75 °F
[storage temp. ]

Flammables area
[form ]

Liquid
[color ]

Clear colorless to slightly yellow
[Specific Gravity]

0.985
[Odor]

at 0.10 % in propylene glycol. nutty sulfury
[biological source]

synthetic
[Odor Type]

sulfurous
[Water Solubility ]

Insoluble in water. Soluble in alcohol, ether and benzene.
[BRN ]

106450
[Major Application]

flavors and fragrances
[InChI]

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

GWQOOADXMVQEFT-UHFFFAOYSA-N
[SMILES]

Cc1ccc(C)s1
[LogP]

2.523 (est)
[CAS DataBase Reference]

638-02-8(CAS DataBase Reference)
[NIST Chemistry Reference]

Thiophene, 2,5-dimethyl-(638-02-8)
[EPA Substance Registry System]

638-02-8(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,F,Xi
[Risk Statements ]

R10:Flammable.
R37:Irritating to the respiratory system.
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S16:Keep away from sources of ignition-No smoking .
S36:Wear suitable protective clothing .
S33:Take precautionary measures against static discharges .
S29:Do not empty into drains .
S7/9:Keep container tightly closed and in a well-ventilated place .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29349990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Carbon tetrachloride-->Phosphorus pentasulfide-->2,5-Hexanedione
[Preparation Products]

Thiophene(SIV) (9CI)-->5-Methylthiophene-2-carboxaldehyde-->2,5-Dimethylthiophene-3-boronic acid-->2-Methylthiophene-->1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one-->3-[2-(2,5-dimethylthiophen-3-yl)cyclopenten-1-yl]-2,5-dimethylthiophene-->CHEMBRDG-BB 4012561-->2,5-Dimethyl-thiophene-3,4-dicarbonitrile
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,5-Dimethylthiophene(638-02-8).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to slightly yellow liquid
[Uses]

2,5-Dimethylthiophene is used as an intermediate in organic synthesis.
[Definition]

ChEBI: 2,5-Dimethylthiophene is a member of thiophenes.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 20, p. 1363, 1955 DOI: 10.1021/jo01127a012
[General Description]

2,5-Dimethylthiophene is a volatile flavoring compound that has been identified in the essential oil of onion. It is reported to be one of the sulfur-containing compounds formed via Maillard reaction/Strecker degradation of cysteine with furaneol.
Spectrum DetailBack Directory
[Spectrum Detail]

2,5-Dimethylthiophene(638-02-8)MS
2,5-Dimethylthiophene(638-02-8)1HNMR
2,5-Dimethylthiophene(638-02-8)IR1
2,5-Dimethylthiophene(638-02-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,5-Dimethylthiophene, 98.50%(638-02-8)
[Alfa Aesar]

2,5-Dimethylthiophene, 98+%(638-02-8)
[Sigma Aldrich]

638-02-8(sigmaaldrich)
[TCI AMERICA]

2,5-Dimethylthiophene,>98.0%(GC)(638-02-8)
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