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68039-26-9

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Basic Information
CAS No.: 68039-26-9
Name: AMYL-2-METHYLBUTYRATE
Article Data: 2
Molecular Structure:
Molecular Structure of 68039-26-9 (AMYL-2-METHYLBUTYRATE)
Formula: C10H20O2
Molecular Weight: 172.268
Synonyms: Butanoic acid,2-methyl-, pentyl ester;Pentyl 2-methylbutanoate;Pentyl 2-methylbutyrate;n-Pentyl2-methylbutyrate;
EINECS: 268-244-2
Density: 0.872 g/cm3
Boiling Point: 195.7 °C at 760 mmHg
Flash Point: 71.4 °C
Appearance: Colorless liquid
PSA: 26.30000
LogP: 2.76590
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Specification

The Amyl 2-methylbutyrate, with the CAS registry number 68039-26-9, is also known as Pentyl 2-methylbutanoate. Its EINECS number is 268-244-2. This chemical's molecular formula is C10H20O2 and formula weight is 172.26. What's more, its IUPAC name is pentyl 2-methylbutanoate.

Physical properties of Amyl 2-methylbutyrate are: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/BCF (pH 5.5): 390.38; (5)ACD/KOC (pH 5.5): 2492.26; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 7; (9)Polar Surface Area: 26.3 Å2; (10)Index of Refraction: 1.421; (11)Molar Refractivity: 50.11 cm3; (12)Molar Volume: 197.4 cm3; (13)Surface Tension: 27.4 dyne/cm; (14)Density: 0.872 g/cm3; (15)Flash Point: 71.4 °C; (16)Enthalpy of Vaporization: 43.19 kJ/mol; (17)Boiling Point: 195.7 °C at 760 mmHg; (18)Vapour Pressure: 0.413 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCOC(=O)C(C)CC
(2)InChI: InChI=1S/C10H20O2/c1-4-6-7-8-12-10(11)9(3)5-2/h9H,4-8H2,1-3H3
(3)InChIKey: RHNBXPIJLXBHMF-UHFFFAOYSA-N