Molecular Structure of Methylthiomethylphenol (CAS NO.3120-74-9):
IUPAC Name: 3-methyl-4-methylsulfanylphenol
Molecular formula: C8H10OS
Molecular Weight: 154.23
Density: 1.15 g/cm3
Melting point: 56-60°C
Boiling point: 263.5 °C at 760 mmHg
Flash point: 128.7 °C
BRN: 1210322
Index of Refraction: 1.597
Molar Refractivity: 45.54 cm3
Molar Volume: 133.5 cm3
Polarizability: 18.05 10-24cm3
Surface Tension: 46.8 dyne/cm
Enthalpy of Vaporization: 52.16 kJ/mol
Vapour Pressure: 0.00626 mmHg at 25°C
InChI
InChI=1/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3
Smiles
c1(c(cc(O)cc1)C)SC
EINECS: 221-496-7
Product Categories: Phenoles and thiophenoles
dimethyl disulfide method and dimethyl sulfoxide method
1. | orl-rat LD50:3400 mg/kg | GISAAA Gigiena i Sanitariya. 43 (8)(1978),10. | ||
2. | orl-mus LD50:1000 mg/kg | GISAAA Gigiena i Sanitariya. 43 (8)(1978),10. | ||
3. | ipr-mus LDLo:100 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) No. AD438-895 . | ||
4. | orl-gpg LD50:3500 mg/kg | GISAAA Gigiena i Sanitariya. 43 (8)(1978),10. |
Reported in EPA TSCA Inventory.
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of SOx.
Hazard Codes: Xn,Xi
Risk Statements: 22-37/38-41
S22:Do not breathe dust.
S37:Wear suitable gloves.
S38:In case of insufficient ventilation, wear suitable respiratory equipment.
S41:In case of fire and / or explosion do not breathe fumes.
Safety Statements: 26-36/39
R26:Very toxic by inhalation.
R36/38:Irritating to eyes and skin.
RIDADR: 3335
RTECS: GP2225000
TSCA: T
HazardClass: Irritant, Stench
Methylthiomethylphenol , with CAS number of 3120-74-9, can be called 3-Methyl-4-(methylthio)phenol ; 4-(Methylthio)-3-methylphenol ; 4-(Methylthio)-m-cresol ; 4-Hydroxy-2-methylthioanisole ; 4-Methylsulfanyl-3-methylphenol . It is used for organic synthesis intermediates and pesticide intermediates.
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