ChemicalBook--->CAS DataBase List--->4001-61-0

4001-61-0

4001-61-0 Structure

4001-61-0 Structure
IdentificationMore
[Name]

2,5-DIMETHYLTHIOPHENOL
[CAS]

4001-61-0
[Synonyms]

2,5-DIMETHYLBENZENETHIOL
2,5-DIMETHYLTHIOPHENOL
2-MERCAPTO-P-XYLENE
P-XYLENETHIOL
2,5-dimethyl-benzenethio
Benzenethiol, 2,5-dimethyl-
2,5-Dimethylthiophenol 98%
2,5-DIMETHYLTHIOPHENOL/2,5-DIMETHYLBENZENETHIOL
2,5-DIMETHYLTHIOPHENONE
[EINECS(EC#)]

223-649-3
[Molecular Formula]

C8H10S
[MDL Number]

MFCD00010020
[Molecular Weight]

138.23
[MOL File]

4001-61-0.mol
Chemical PropertiesBack Directory
[Appearance]

clear light yellow liquid
[Melting point ]

-30°C (estimate)
[Boiling point ]

126.3 °C/50 mmHg (lit.)
[density ]

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

n20/D 1.5698(lit.)
[Fp ]

182 °F
[storage temp. ]

2-8°C, stored under nitrogen
[form ]

clear liquid
[pka]

6.92±0.48(Predicted)
[color ]

Colorless to Almost colorless
[Specific Gravity]

1.031.020
[Sensitive ]

Stench
[BRN ]

2040348
[InChI]

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

NHAUBUMQRJWWAT-UHFFFAOYSA-N
[SMILES]

Cc1ccc(C)c(S)c1
[LogP]

3.397 (est)
[CAS DataBase Reference]

4001-61-0(CAS DataBase Reference)
[NIST Chemistry Reference]

2,5-Dimethylthiophenol(4001-61-0)
[EPA Substance Registry System]

4001-61-0(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 .
[RIDADR ]

UN 3334
[WGK Germany ]

3
[Hazard Note ]

Irritant/Stench
[TSCA ]

T
[HazardClass ]

6.1
[HazardClass ]

IRRITANT, STENCH
[PackingGroup ]

III
[HS Code ]

29309090
[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-(2,5-dimethylphenyl) sulfoximine-->(2,5-Dimethyl-phenylsulfanyl)-acetic acid
Hazard InformationBack Directory
[Chemical Properties]

clear light yellow liquid
[Uses]

2,5-Dimethylbenzenethiol was used in the synthesis of poly(2-dodecanoylsulfanyl-p-phenylenevinylene). It was also used in the synthesis of 1,1,2-trichloro-4-(2,5-dimethylphenylthio)-1-buten-3-yne; 1,1,2,4-tetrachloro-4-(2,5-dimethylphenylthio)-1,3-butadiene and 1,1,2-trichloro-4,4-bis(2,5-dimethylphenylthio)-1,3-butadiene.
Spectrum DetailBack Directory
[Spectrum Detail]

2,5-DIMETHYLTHIOPHENOL(4001-61-0)1HNMR
2,5-DIMETHYLTHIOPHENOL(4001-61-0)IR
2,5-DIMETHYLTHIOPHENOL(4001-61-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,5-Dimethylthiophenol, 99%(4001-61-0)
[Alfa Aesar]

2,5-Dimethylthiophenol, 98%(4001-61-0)
[Sigma Aldrich]

4001-61-0(sigmaaldrich)
[TCI AMERICA]

2,5-Dimethylbenzenethiol,>98.0%(GC)(4001-61-0)
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