Molecular structure of Propyl 2-methylbutyrate (CAS NO.37064-20-3) is:
Product Name: Propyl 2-methylbutyrate
CAS Registry Number: 37064-20-3
IUPAC Name: Propyl 2-methylbutanoate
Molecular Weight: 144.21144 [g/mol]
Molecular Formula: C8H16O2
XLogP3-AA: 2.4
H-Bond Donor: 0
H-Bond Acceptor: 2
EINECS: 253-329-9
Index of Refraction: 1.411
Molar Refractivity: 40.84 cm3
Molar Volume: 164.4 cm3
Surface Tension: 26.3 dyne/cm
Density: 0.876 g/cm3
Flash Point: 46.7 °C
Enthalpy of Vaporization: 39.3 kJ/mol
Boiling Point: 156.3 °C at 760 mmHg
Vapour Pressure: 2.91 mmHg at 25°C
Canonical SMILES: CCCOC(=O)C(C)CC
InChI: InChI=1S/C8H16O2/c1-4-6-10-8(9)7(3)5-2/h7H,4-6H2,1-3H3
InChIKey: TZFQMSDUSOTCJC-UHFFFAOYSA-N
Propyl 2-methylbutyrate , its cas register number is 37064-20-3. It also can be called Butanoic acid,2-methyl-, propyl ester .
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