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Cas Database |
| Name |
2-Methoxythiophenol |
EINECS | 230-605-7 |
| CAS No. | 7217-59-6 | Density | 1.112 g/cm3 |
| PSA | 48.03000 | LogP | 1.98390 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H8OS | Boiling Point | 235.4 °C at 760 mmHg |
| Molecular Weight | 140.206 | Flash Point | 95.6 °C |
| Transport Information | N/A | 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-; |
Article Data | 35 |
2-Methoxythiophenol Consensus Reports
Reported in EPA TSCA Inventory.
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 SOx.
Hazard Codes:
Xn,
XiRisk 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
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