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| CAS No.: | 19329-89-6 |
|---|---|
| Name: | LACTIC ACID ISOAMYL ESTER |
| Molecular Structure: | |
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| 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.
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