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Substance Name: Methyl o-toluate
RN: 89-71-4
UNII: MC8KDB9FUW
InChIKey: WVWZECQNFWFVFW-UHFFFAOYSA-N
Molecular Formula
- C9-H10-O2
Molecular Weight
- 150.176
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Names and Synonyms
Name of Substance
- Methyl o-toluate
Synonyms
- AI3-02357
- EINECS 201-932-2
- Methyl 2-methylbenzoate
- Methyl o-methylbenzoate
- Methyl o-toluate
- Methyl orthotoluate
- NSC 9402
- UNII-MC8KDB9FUW
Systematic Names
- Benzoic acid, 2-methyl-, methyl ester
- Methyl o-toluate
- o-Toluic acid, methyl ester (8CI)
Registry Numbers
CAS Registry Number
- 89-71-4
FDA UNII
- MC8KDB9FUW
System Generated Number
- 0000089714
Structure Descriptors
InChI
1S/C9H10O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6H,1-2H3InChIKey
WVWZECQNFWFVFW-UHFFFAOYSA-NSmiles
O=C(OC)Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -5.00E+01 | deg C | EXP | |
| Boiling Point | 215 | deg C | EXP | |
| log P (octanol-water) | 2.75 | (none) | EXP | |
| Water Solubility | 340 | mg/L | 25 | EST |
| Vapor Pressure | 0.164 | mm Hg | 25 | EST |
| Henry's Law Constant | 3.83E-05 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.99E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.