Pentanoic acid,5-hydroxy-2-propyl- supplier

Name
2-PROPYL-5-HYDROXYPENTANOIC ACID
EINECS
CAS No. 53660-23-4
Density 1.046 g/cm³
Solubility
Melting Point
Formula C₈H₁₆O₃
Boiling Point 291.2 °C at 760 mmHg
Molecular Weight 160.21
Flash Point 144.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Propyl-5-hydroxypentanoic acid;2-n-Propyl-5-hydroxypentanoic acid;2-n-Propyl-5-hydroxyvaleric acid;5-Hydroxy-2-propylpentanoic acid;5-Hydroxy-2-propylvaleric acid;5-Hydroxyvalproic acid;
PSA 57.53000
LogP 1.25980

Pentanoic acid,5-hydroxy-2-propyl- Specification

The Pentanoic acid,5-hydroxy-2-propyl-, with the CAS registry number 53660-23-4, is also known as 2-n-Propyl-5-hydroxypentanoic acid. This chemical's molecular formula is C₈H₁₆O₃ and molecular weight is 160.21. What's more, its systematic name is 5-Hydroxy-2-propylpentanoic acid and it belongs to the product categories of Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals.

Physical properties of Pentanoic acid,5-hydroxy-2-propyl- are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/LogD (pH 7.4): -1.61; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.57; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 42.16 cm³; (15)Molar Volume: 153 cm³; (16)Polarizability: 16.71×10^-24cm³; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.046 g/cm³; (19)Flash Point: 144.1 °C; (20)Enthalpy of Vaporization: 61.57 kJ/mol; (21)Boiling Point: 291.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000214 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC(CCCO)C(=O)O
(2)InChI: InChI=1S/C8H16O3/c1-2-4-7(8(10)11)5-3-6-9/h7,9H,2-6H2,1H3,(H,10,11)
(3)InChIKey: ZIWBCJXKYKOLJK-UHFFFAOYSA-N

Product Name

2-PROPYL-5-HYDROXYPENTANOIC ACID

Pentanoic acid,5-hydroxy-2-propyl- Specification

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