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Propanoic acid,2-hydroxy-, pentyl ester

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Name

Propanoic acid,2-hydroxy-, pentyl ester

EINECS 228-974-4
CAS No. 6382-06-5 Density 0.989 g/cm3
PSA 46.53000 LogP 1.10060
Solubility 10g/L(25 oC) Melting Point N/A
Formula C8H16O3 Boiling Point 204.6 °C at 760 mmHg
Molecular Weight 160.213 Flash Point 79.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6382-06-5 (AMYL LACTATE) Hazard Symbols N/A
Synonyms

Lacticacid, pentyl ester (6CI,8CI);Amyl lactate;NSC 406253;Pentyl2-hydroxypropionate;n-Pentyl lactate;

Article Data 10

Propanoic acid,2-hydroxy-, pentyl ester 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

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