Benzoic acid,3-methyl-, 2-methylpropyl ester supplier

Name
Benzoic acid, 3-methyl-, (2-methylpropyl) ester
EINECS
CAS No. 6640-78-4
Density 0.993 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆O₂
Boiling Point 265.2 °C at 760 mmHg
Molecular Weight 192.258
Flash Point 116.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isobutylm-methylbenzoate;Isobutyl m-toluate;NSC 17902;
PSA 26.30000
LogP 2.80780

Benzoic acid,3-methyl-, 2-methylpropyl ester Specification

The Benzoic acid,3-methyl-, 2-methylpropyl ester, with the CAS registry number 6640-78-4, is also known as m-Toluic acid, 2-methylpropyl ester. This chemical's molecular formula is C₁₂H₁₆O₂ and molecular weight is 192.25424. Its IUPAC name is called 2-methylpropyl 3-methylbenzoate.

Physical properties of Benzoic acid,3-methyl-, 2-methylpropyl ester: (1)ACD/LogP: 4.07; (2)ACD/LogD (pH 5.5): 4.07; (3)ACD/LogD (pH 7.4): 4.07; (4)ACD/BCF (pH 5.5): 724.85; (5)ACD/BCF (pH 7.4): 724.85; (6)ACD/KOC (pH 5.5): 3881.22; (7)ACD/KOC (pH 7.4): 3881.22; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.497; (11)Molar Refractivity: 56.7 cm³; (12)Molar Volume: 193.4 cm³; (13)Surface Tension: 33.7 dyne/cm; (14)Density: 0.993 g/cm³; (15)Flash Point: 116.7 °C; (16)Enthalpy of Vaporization: 50.31 kJ/mol; (17)Boiling Point: 265.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00929 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=CC(=C1)C(=O)OCC(C)C
(2)InChI: InChI=1S/C12H16O2/c1-9(2)8-14-12(13)11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3
(3)InChIKey: DVLDXZFSLYUGHD-UHFFFAOYSA-N

Product Name

Benzoic acid, 3-methyl-, (2-methylpropyl) ester

Benzoic acid,3-methyl-, 2-methylpropyl ester Specification

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