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Basic Information
CAS No.: 19329-89-6
Name: LACTIC ACID ISOAMYL ESTER
Article Data: 9
Molecular Structure:
Molecular Structure of 19329-89-6 (LACTIC ACID ISOAMYL ESTER)
Formula: C8H16O3
Molecular Weight: 160.213
Synonyms: Lacticacid, isopentyl ester (6CI,7CI,8CI);Isopentyl alcohol, lactate (8CI);3-Methylbutyl lactate;Isoamyl lactate;Isopentyl 2-hydroxypropanoate;Isopentyl lactate;
EINECS: 242-966-8
Density: 0.986 g/cm3
Boiling Point: 202.4 °C at 760 mmHg
Flash Point: 74 °C
Appearance: VERY MILD, SWEET, OILY, SOMEWHAT CARAMEL-LIKE COLORLESS LIQUID
PSA: 46.53000
LogP: 0.95650
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Specification

The Isopentyl lactate, with the CAS registry number 19329-89-6, is also known as Propanoic acid, 2-hydroxy-, 3-methylbutyl ester. Its EINECS registry number is 242-966-8. This chemical's molecular formula is C8H16O3 and molecular weight is 160.21. Its IUPAC name is called 3-methylbutyl 2-hydroxypropanoate.

Physical properties of Isopentyl lactate: (1)ACD/LogP: 1.22; (2)ACD/LogD (pH 5.5): 1.22; (3)ACD/LogD (pH 7.4): 1.22; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 110.17; (7)ACD/KOC (pH 7.4): 110.17; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.434; (12)Molar Refractivity: 42.33 cm3; (13)Molar Volume: 162.3 cm3; (14)Surface Tension: 32.1 dyne/cm; (15)Density: 0.986 g/cm3; (16)Flash Point: 74 °C; (17)Enthalpy of Vaporization: 51.03 kJ/mol; (18)Boiling Point: 202.4 °C at 760 mmHg; (19)Vapour Pressure: 0.0715 mmHg at 25°C.

Uses of Isopentyl lactate: it can be used to produce pyruvic acid isopentyl ester. This reaction will need reagent air.

Isopentyl lactate can be used to produce pyruvic acid isopentyl ester

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CCOC(=O)C(C)O
(2)InChI: InChI=1S/C8H16O3/c1-6(2)4-5-11-8(10)7(3)9/h6-7,9H,4-5H2,1-3H3
(3)InChIKey: CRORGGSWAKIXSA-UHFFFAOYSA-N