ChemicalBook--->CAS DataBase List--->18800-53-8

18800-53-8

18800-53-8 Structure

18800-53-8 Structure
IdentificationMore
[Name]

3,4-DIMETHYLTHIOPHENOL
[CAS]

18800-53-8
[Synonyms]

3,4-DIMETHYLBENZENETHIOL
3,4-DIMETHYLTHIOPHENOL
4-MERCAPTO-O-XYLENE
O-XYLENE-4-THIOL
3,4-dimethyl-benzenethio
Benzenethiol, 3,4-dimethyl-(9CI)
3,4-DIMETHYLTHIOPHENOL/3,4-DIMETHYLBENZENETHIOL
3,4-DIMETHYLTHIOPHENE
[EINECS(EC#)]

242-587-8
[Molecular Formula]

C8H10S
[MDL Number]

MFCD00010023
[Molecular Weight]

138.23
[MOL File]

18800-53-8.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

-30°C (estimate)
[Boiling point ]

218 °C (lit.)
[density ]

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

n20/D 1.5736(lit.)
[Fp ]

194 °F
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

Liquid
[pka]

6.91±0.10(Predicted)
[color ]

Clear colorless to light yellow
[Specific Gravity]

1.027
[BRN ]

2040353
[InChI]

1S/C8H10S/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
[InChIKey]

IDKCKPBAFOIONK-UHFFFAOYSA-N
[SMILES]

Cc1ccc(S)cc1C
[LogP]

3.328 (est)
[CAS DataBase Reference]

18800-53-8(CAS DataBase Reference)
[EPA Substance Registry System]

18800-53-8(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
S7/9:Keep container tightly closed and in a well-ventilated place .
[RIDADR ]

UN 3334
[WGK Germany ]

3
[TSCA ]

T
[HazardClass ]

6.1
[HazardClass ]

IRRITANT, STENCH
[HS Code ]

29309070
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

S-Methyl-S-(3,4-dimethylphenyl) sulfoximine
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Uses]

3,4-Dimethylbenzenethiol may be used in chemical synthesis studies.
Spectrum DetailBack Directory
[Spectrum Detail]

3,4-DIMETHYLTHIOPHENOL(18800-53-8)MS
3,4-DIMETHYLTHIOPHENOL(18800-53-8)1HNMR
3,4-DIMETHYLTHIOPHENOL(18800-53-8)IR1
3,4-DIMETHYLTHIOPHENOL(18800-53-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3,4-Dimethylthiophenol, 98%(18800-53-8)
[Sigma Aldrich]

18800-53-8(sigmaaldrich)
[TCI AMERICA]

3,4-Dimethylbenzenethiol,>97.0%(GC)(T)(18800-53-8)
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