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Name |
Amyl 2-methylbutyrate |
EINECS | 268-244-2 |
CAS No. | 68039-26-9 | Density | 0.872 g/cm3 |
PSA | 26.30000 | LogP | 2.76590 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H20O2 | Boiling Point | 195.7 °C at 760 mmHg |
Molecular Weight | 172.268 | Flash Point | 71.4 °C |
Transport Information | N/A | Appearance | Colorless liquid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Butanoic acid,2-methyl-, pentyl ester;Pentyl 2-methylbutanoate;Pentyl 2-methylbutyrate;n-Pentyl2-methylbutyrate; |
Article Data | 2 |
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