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CAS No.: 4001-61-0
Name: 2,5-DIMETHYLTHIOPHENOL
Article Data: 16
Molecular Structure:
Molecular Structure of 4001-61-0 (2,5-DIMETHYLTHIOPHENOL)
Formula: C8H10S
Molecular Weight: 138.233
Synonyms: 2,5-Xylenethiol(6CI,7CI,8CI);2,5-Dimethylbenzenethiol;2,5-Dimethylthiophenol;Benzenethiol,2,5-dimethyl-;
EINECS: 223-649-3
Density: 1.027 g/cm3
Melting Point: -30°C (estimate)
Boiling Point: 205 °C at 760 mmHg
Flash Point: 83 ºC
Appearance: clear light yellow liquid
Hazard Symbols:
Risk Codes: R36/37/38   
Safety: 26-36/37/39
PSA: 38.80000
LogP: 2.59210
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Chemistry


IUPAC Name: 2,5-Dimethylbenzenethiol
Canonical SMILES: CC1=CC(=C(C=C1)C)S
InChI: InChI=1S/C8H10S/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
InChIKey: NHAUBUMQRJWWAT-UHFFFAOYSA-N
Molecular Weight: 138.23 [g/mol]
Molecular Formula: C8H10S
XLogP3: 2.8 
EINECS: 223-649-3 
Index of Refraction: 1.568
Molar Refractivity: 44.07 cm3
Molar Volume: 134.5 cm3
Surface Tension: 36.6 dyne/cm
Density: 1.027 g/cm3
Flash Point: 83.3 °C
Enthalpy of Vaporization: 42.32 kJ/mol
Boiling Point: 205 °C at 760 mmHg
Vapour Pressure: 0.366 mmHg at 25 °C
Sensitive: Stench
Appearance: clear light yellow liquid
Product Categories of 2,5-Dimethyl thiophenol (CAS NO.4001-61-0): Phenol & Thiophenol & Mercaptan; Phenoles and thiophenoles

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-36 
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.
WGK Germany: 3
Hazard Note: Irritant/Stench
TSCA: T
PackingGroup of 2,5-Dimethyl thiophenol (CAS NO.4001-61-0): III

Specification

 2,5-Dimethyl thiophenol (CAS NO.4001-61-0), its Synonyms are Benzenethiol, 2,5-dimethyl- ; 2,5-Dimethylbenzenethiol .