Monomethyl 3-methylglutarate supplier

Name
MONOMETHYL 3-METHYLGLUTARATE
EINECS
CAS No. 27151-65-1
Article Data17
CAS DataBase
Density 1.123 g/cm³
Solubility
Melting Point
Formula C₇H₁₂O₄
Boiling Point 291.6 °C at 760 mmHg
Molecular Weight 160.17
Flash Point 108.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glutaricacid, 3-methyl-, methyl ester (6CI);Glutaric acid, 3-methyl-, monomethyl ester(8CI);Pentanedioic acid, 3-methyl-, monomethyl ester (9CI);NSC 249823;Monomethyl β-methylglutarate;
PSA 63.60000
LogP 0.66030

Monomethyl 3-methylglutarate Specification

The Pentanedioic acid,3-methyl-, 1-methyl ester, with CAS registry number 27151-65-1, has the systematic name of 5-methoxy-3-methyl-5-oxopentanoic acid. And its IUPAC name is the same one. And the chemical formula of this chemical is C₇H₁₂O₄.

Physical properties of Pentanedioic acid,3-methyl-, 1-methyl ester: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.37; (4)ACD/LogD (pH 7.4): -2.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.7; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 37.77 cm³; (15)Molar Volume: 142.5 cm³; (16)Polarizability: 14.97×10^-24cm³; (17)Surface Tension: 38.2 dyne/cm; (18)Enthalpy of Vaporization: 58.42 kJ/mol; (19)Vapour Pressure: 0.000479 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(C)CC(=O)OC
(2)InChI: InChI=1/C7H12O4/c1-5(3-6(8)9)4-7(10)11-2/h5H,3-4H2,1-2H3,(H,8,9)
(3)InChIKey: BYBMHSADRRMVHY-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H12O4/c1-5(3-6(8)9)4-7(10)11-2/h5H,3-4H2,1-2H3,(H,8,9)
(5)Std. InChIKey: BYBMHSADRRMVHY-UHFFFAOYSA-N

Product Name

MONOMETHYL 3-METHYLGLUTARATE

Monomethyl 3-methylglutarate Specification

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