Propanoic acid,2-hydroxy-, pentyl ester supplier

Name
AMYL LACTATE
EINECS 228-974-4
CAS No. 6382-06-5
Article Data10
CAS DataBase
Density 0.989 g/cm³
Solubility 10g/L(25 oC)
Melting Point
Formula C₈H₁₆O₃
Boiling Point 204.6 °C at 760 mmHg
Molecular Weight 160.213
Flash Point 79.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Lacticacid, pentyl ester (6CI,8CI);Amyl lactate;NSC 406253;Pentyl2-hydroxypropionate;n-Pentyl lactate;
PSA 46.53000
LogP 1.10060

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

Product Name

AMYL LACTATE

Propanoic acid,2-hydroxy-, pentyl ester Specification

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