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6382-06-5

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Basic Information
CAS No.: 6382-06-5
Name: AMYL LACTATE
Article Data: 10
Molecular Structure:
Molecular Structure of 6382-06-5 (AMYL LACTATE)
Formula: C8H16O3
Molecular Weight: 160.213
Synonyms: Lacticacid, pentyl ester (6CI,8CI);Amyl lactate;NSC 406253;Pentyl2-hydroxypropionate;n-Pentyl lactate;
EINECS: 228-974-4
Density: 0.989 g/cm3
Boiling Point: 204.6 °C at 760 mmHg
Flash Point: 79.2 °C
Solubility: 10g/L(25 oC)
PSA: 46.53000
LogP: 1.10060
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Specification

The CAS registry number of Propanoic acid,2-hydroxy-, pentyl ester is 6382-06-5. This chemical is also named as Amyl lactate. In addition, its molecular formula is C8H16O3 and molecular weight is 160.21. Its systematic name and IUPAC name are the same which is called pentyl 2-hydroxypropanoate. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about Propanoic acid,2-hydroxy-, pentyl ester are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 6.9; (6)ACD/BCF (pH 7.4): 6.9; (7)ACD/KOC (pH 5.5): 138.72; (8)ACD/KOC (pH 7.4): 138.72; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.436; (13)Molar Refractivity: 42.38 cm3; (14)Molar Volume: 161.9 cm3; (15)Surface Tension: 33.3 dyne/cm; (16)Density: 0.989 g/cm3; (17)Flash Point: 79.2 °C; (18)Enthalpy of Vaporization: 51.29 kJ/mol; (19)Boiling Point: 204.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0624 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCC)C(O)C
(2)InChI: InChI=1/C8H16O3/c1-3-4-5-6-11-8(10)7(2)9/h7,9H,3-6H2,1-2H3
(3)InChIKey: GXOHBWLPQHTYPF-UHFFFAOYAG