• Name

  2-METHOXYBENZENETHIOL

• EINECS 230-605-7
• CAS No. 7217-59-6
• Article Data35
• CAS DataBase
• Density 1.112 g/cm³
• Solubility
• Melting Point
• Formula C₇H₈OS
• Boiling Point 235.4 °C at 760 mmHg
• Molecular Weight 140.206
• Flash Point 95.6 °C
• Transport Information
• Appearance clear yellow liquid
• Safety 26-36/37-37/39
• Risk Codes 22-36/37/38
• Molecular Structure
• Hazard Symbols Xn,Xi
• Synonyms Benzenethiol,o-methoxy- (7CI,8CI);2-(Methoxy)benzothiol;2-Mercaptoanisole;2-Methoxybenzenethiol;o-Methoxybenzenethiol;o-Methoxythiophenol;Benzenethiol,2-methoxy-;
• PSA 48.03000
• LogP 1.98390

2-Methoxythiophenol Consensus Reports

2-Methoxythiophenol Specification

1. Introduction of 2-Methoxythiophenol
2-Methoxythiophenol is also called Thioguaiacol; o-Methoxybenzenethiol; 2-Methoxybenzenethiol; Benzenethiol, 2-methoxy-; Benzenethiol, o-methoxy-. Its IUPAC Name is 2-Methoxybenzenethiol

2. Properties of 2-Methoxythiophenol
XLogP3: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 1 
EINECS: 230-605-7 
Index of Refraction: 1.565
Molar Refractivity: 41.1 cm³
Molar Volume: 126 cm³
Surface Tension: 37.7 dyne/cm
Density: 1.112 g/cm³
Flash Point: 95.6 °C
Enthalpy of Vaporization: 45.3 kJ/mol
Boiling Point: 235.4 °C at 760 mmHg
Vapour Pressure: 0.077 mmHg at 25 °C
Sensitive: Stench
Appearance: clear yellow liquid

3. Structure Descriptors of 2-Methoxythiophenol
Canonical SMILES: COC1=CC=CC=C1S
InChI: InChI=1S/C7H8OS/c1-8-6-4-2-3-5-7(6)9/h2-5,9H,1H3
InChIKey: DSCJETUEDFKYGN-UHFFFAOYSA-N

4. Toxicity of 2-Methoxythiophenol

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1560mg/kg (1560mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Food and Cosmetics Toxicology. Vol. 19, Pg. 753, 1981.
rat	LD50	oral	1740mg/kg (1740mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Food and Cosmetics Toxicology. Vol. 19, Pg. 753, 1981.

5. Safety Information of 2-Methoxythiophenol
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of SO_x.
Hazard Codes: Xn,Xi
Risk Statements: 22-36/37/38 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37:Wear suitable protective clothing and gloves. 
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: 3334
WGK Germany: 3
RTECS: DC1790000
Hazard Note: Harmful/Stench
TSCA: T
HazardClass of 2-Methoxythiophenol: IRRITANT, STENCH