ChemicalBook--->CAS DataBase List--->13616-82-5

13616-82-5

13616-82-5 Structure

13616-82-5 Structure
IdentificationMore
[Name]

2,4-Dimethylbenzenethiol
[CAS]

13616-82-5
[Synonyms]

2,4-DIMETHYLBENZENETHIOL
2,4-DIMETHYLTHIOPHENOL
4-MERCAPTO-M-XYLENE
M-XYLENE-4-THIOL
THIOXYLENOL
2,4-dimethyl-benzenethio
Benzenethiol, 2,4-dimethyl-(9CI)
2,4-Dimethylthiophenol 98%
2,4-Thioxylenol
2,4-Dimethylthiophenol ,98%
[EINECS(EC#)]

237-100-0
[Molecular Formula]

C8H10S
[MDL Number]

MFCD00010019
[Molecular Weight]

138.23
[MOL File]

13616-82-5.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow liquid
[Melting point ]

-30°C (estimate)
[Boiling point ]

207-208 °C (lit.)
[density ]

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

n20/D 1.569(lit.)
[Fp ]

137 °F
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[solubility ]

soluble in Chloroform, Ethyl Acetate, Methanol
[form ]

clear liquid
[pka]

7.02±0.48(Predicted)
[color ]

Colorless to Light yellow
[Specific Gravity]

1.022
[Sensitive ]

Stench
[Detection Methods]

HPLC
[InChI]

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

AMNLXDDJGGTIPL-UHFFFAOYSA-N
[SMILES]

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

3.421 (est)
[Uses]

Chemical intermediate, peptizer for natural and SBR rubbers.
[CAS DataBase Reference]

13616-82-5(CAS DataBase Reference)
[NIST Chemistry Reference]

2,4-Dimethylthiophenol(13616-82-5)
[EPA Substance Registry System]

13616-82-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

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

Warning
[Hazard statements ]

H226-H315-H319-H335
[Precautionary statements ]

P210-P302+P352-P305+P351+P338
[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 .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
S7/9:Keep container tightly closed and in a well-ventilated place .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[Hazard Note ]

Irritant/Stench
[TSCA ]

T
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29309090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,4-Dimethylbenzenethiol(13616-82-5).msds
Hazard InformationBack Directory
[Chemical Properties]

clear yellow liquid
[General Description]

The sum frequency generation (SFG) spectra for the C-H stretching vibrations of the methyl group in 2,4-dimethylbenzenethiol (test molecule) was studied.
Spectrum DetailBack Directory
[Spectrum Detail]

2,4-Dimethylbenzenethiol(13616-82-5)1HNMR
2,4-Dimethylbenzenethiol(13616-82-5)Raman
2,4-Dimethylbenzenethiol(13616-82-5)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,4-Dimethylthiophenol, 95%(13616-82-5)
[Sigma Aldrich]

13616-82-5(sigmaaldrich)
[TCI AMERICA]

2,4-Dimethylbenzenethiol,>96.0%(GC)(13616-82-5)
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