| Identification | More | [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 Properties | Back 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 Data | Back 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 |
| Hazard Information | Back 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. |
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