ChemicalBook--->CAS DataBase List--->118-72-9

118-72-9

118-72-9 Structure

118-72-9 Structure
IdentificationMore
[Name]

2,6-DIMETHYLTHIOPHENOL
[CAS]

118-72-9
[Synonyms]

2,6-DIMETHYLBENZENETHIOL
2,6-DIMETHYLTHIOPHENOL
FEMA 3666
2,6-dimethyl-benzenethio
Benzenethiol, 2,6-dimethyl-
2,6-Thioxylenol
2 6-DIMETHYLTHIOPHENOL 95+%
2,6-Dimethylbenzolthiol
DIMETHYLTHIOPHENOL, 2,6-
2,6-DIMETHYLTHIOPHENOL 97%
[EINECS(EC#)]

204-272-3
[Molecular Formula]

C8H10S
[MDL Number]

MFCD00010021
[Molecular Weight]

138.23
[MOL File]

118-72-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

-30°C (estimate)
[Boiling point ]

122 °C50 mm Hg
[density ]

1.038 g/mL at 25 °C
[FEMA ]

3666
[refractive index ]

n20/D 1.575
[Fp ]

186 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

liquid
[pka]

7.03±0.50(Predicted)
[color ]

Clear
[Specific Gravity]

1.038
[Odor]

at 0.10 % in propylene glycol. sulfury meaty roasted phenolic metallic
[biological source]

synthetic
[Odor Type]

sulfurous
[Sensitive ]

Moisture Sensitive
[JECFA Number]

530
[BRN ]

1099405
[InChI]

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

QCLJODDRBGKIRW-UHFFFAOYSA-N
[SMILES]

Cc1cccc(C)c1S
[LogP]

3.15
[CAS DataBase Reference]

118-72-9(CAS DataBase Reference)
[EPA Substance Registry System]

Benzenethiol, 2,6-dimethyl- (118-72-9)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-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 .
S36:Wear suitable protective clothing .
S7/9:Keep container tightly closed and in a well-ventilated place .
[RIDADR ]

UN 3334
[WGK Germany ]

2
[TSCA ]

T
[HazardClass ]

6.1
[HazardClass ]

IRRITANT, STENCH
[HS Code ]

29309090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Questions And AnswerBack Directory
[Description]

2,6-Dimethylbenzenethiol, also known as 2,6-dimethyl thiophenol or 2,6-xylenethiol, the molecular formula is C8H10S, which belongs to the class of organic compounds known as thiophenols. Thiophenols are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom. 2,6-Dimethylbenzenethiol is a very weakly acidic compound (based on its pKa). 2,6-Dimethylbenzenethiol is a meaty, metallic, and phenolic tasting compound.
2,6-Dimethylbenzenethiol is found in animal foods. It is present in boiled beef. It is a flavouring ingredient. 2,6-Dimethylbenzenethiol was used in the synthesis of (2,6-Me2C6H3S)2Pb by reacting with Pb(OAc)2.

Hazard InformationBack Directory
[Chemical Properties]

2,6-Dimethylthiophenol has a strong odor.
[Chemical Properties]

clear colorless to light yellow liquid
[Occurrence]

Reported found in boiled beef
[Uses]

2,6-Dimethylbenzenethiol was used in the synthesis of (2,6-Me2C6H3S)2Pb by reacting with Pb(OAc)2.
[Taste threshold values]

Meaty, vegetative and nutty with a slight sulfuraceous nuance.
Spectrum DetailBack Directory
[Spectrum Detail]

2,6-DIMETHYLTHIOPHENOL(118-72-9)1HNMR
2,6-DIMETHYLTHIOPHENOL(118-72-9)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,6-Dimethylthiophenol, 96%(118-72-9)
[Alfa Aesar]

2,6-Dimethylthiophenol, 97%(118-72-9)
[Sigma Aldrich]

118-72-9(sigmaaldrich)
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