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Substance Name: Methyl 3-toluate
RN: 99-36-5
InChIKey: CPXCDEMFNPKOEF-UHFFFAOYSA-N
Molecular Formula
- C9-H10-O2
Molecular Weight
- 150.176
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Names and Synonyms
Name of Substance
- Methyl 3-toluate
Synonyms
- AI3-24382
- EINECS 202-753-2
- meta-Toluic acid, methyl ester
- Methyl 3-methylbenzoate
- Methyl 3-toluate
- Methyl m-methylbenzoate
- Methyl m-toluate
- NSC 20004
Systematic Names
- Benzoic acid, 3-methyl-, methyl ester
- m-Toluic acid, methyl ester (8CI)
- Methyl m-toluate
Registry Numbers
CAS Registry Number
- 99-36-5
System Generated Number
- 0000099365
Structure Descriptors
InChI
1S/C9H10O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3-6H,1-2H3InChIKey
CPXCDEMFNPKOEF-UHFFFAOYSA-NSmiles
c1(cc(ccc1)Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Boiling Point | 221 | deg C | EXP | |
| log P (octanol-water) | 2.77 | (none) | EXP | |
| Water Solubility | 326 | 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 | 1.48E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.