Pentanoic acid,2-methyl-, propyl ester supplier

Name
propyl 2-methylpentanoate
EINECS
CAS No. 6639-14-1
Density 0.874 g/cm³
Solubility
Melting Point
Formula C₉H₁₈O₂
Boiling Point 176.5 °C at 760 mmHg
Molecular Weight 158.241
Flash Point 59.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 17877;Propyl 2-methylpentanoate;Propyl 2-methylvalerate;2-Methylvaleric acid n-propyl ester;
PSA 26.30000
LogP 2.37580

Pentanoic acid,2-methyl-, propyl ester Specification

The Pentanoic acid,2-methyl-, propyl ester, with the CAS registry number 6639-14-1, is also known as Propyl 2-methylvalerate. This chemical's molecular formula is C₉H₁₈O₂ and molecular weight is 158.24. What's more, its systematic name is Propyl 2-methylpentanoate.

Physical properties of Pentanoic acid,2-methyl-, propyl ester are: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.416; (8)Molar Refractivity: 45.47 cm³; (9)Molar Volume: 180.9 cm³; (10)Polarizability: 18.02×10^-24cm³; (11)Surface Tension: 26.9 dyne/cm; (12)Density: 0.874 g/cm³; (13)Flash Point: 59.4 °C; (14)Enthalpy of Vaporization: 41.28 kJ/mol; (15)Boiling Point: 176.5 °C at 760 mmHg; (16)Vapour Pressure: 1.09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCC)C(CCC)C
(2)InChI: InChI=1/C9H18O2/c1-4-6-8(3)9(10)11-7-5-2/h8H,4-7H2,1-3H3
(3)InChIKey: AJYNZTLCODJWQR-UHFFFAOYSA-N

Product Name

propyl 2-methylpentanoate

Pentanoic acid,2-methyl-, propyl ester Specification

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