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CAS No.: | 7217-59-6 |
---|---|
Name: | 2-METHOXYBENZENETHIOL |
Article Data: | 35 |
Molecular Structure: | |
Formula: | C7H8OS |
Molecular Weight: | 140.206 |
Synonyms: | Benzenethiol,o-methoxy- (7CI,8CI);2-(Methoxy)benzothiol;2-Mercaptoanisole;2-Methoxybenzenethiol;o-Methoxybenzenethiol;o-Methoxythiophenol;Benzenethiol,2-methoxy-; |
EINECS: | 230-605-7 |
Density: | 1.112 g/cm3 |
Boiling Point: | 235.4 °C at 760 mmHg |
Flash Point: | 95.6 °C |
Appearance: | clear yellow liquid |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36/37-37/39 |
PSA: | 48.03000 |
LogP: | 1.98390 |
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Reported in EPA TSCA Inventory.
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. |