Pentanoic acid,3-oxo-2-propyl- supplier

Name
2-n-propyl-3-oxopentanoic acid
EINECS
CAS No. 60113-81-7
Density 1.035 g/cm³
Solubility
Melting Point
Formula C₈H₁₄O₃
Boiling Point 267.9 °C at 760 mmHg
Molecular Weight 158.19
Flash Point 130.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Propyl-3-oxopentanoicacid;3-Ketovalproic acid;3-Oxo-2-propylpentanoic acid;3-Oxodipropylacetic acid;3-Oxovalproic acid;
PSA 54.37000
LogP 1.46640

Pentanoic acid,3-oxo-2-propyl- Specification

The Pentanoic acid,3-oxo-2-propyl-, with the CAS registry number 60113-81-7, is also known as 3-Oxodipropylacetic acid. This chemical's molecular formula is C₈H₁₄O₃ and molecular weight is 158.19. What's more, its systematic name is 3-Oxo-2-propylpentanoic acid.

Physical properties of Pentanoic acid,3-oxo-2-propyl- are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.55; (4)ACD/LogD (pH 7.4): -2.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.49; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 40.66 cm³; (15)Molar Volume: 152.7 cm³; (16)Polarizability: 16.12×10^-24cm³; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 1.035 g/cm³; (19)Flash Point: 130.1 °C; (20)Enthalpy of Vaporization: 55.7 kJ/mol; (21)Boiling Point: 267.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00226 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC(C(=O)CC)C(=O)O
(2)InChI: InChI=1S/C8H14O3/c1-3-5-6(8(10)11)7(9)4-2/h6H,3-5H2,1-2H3,(H,10,11)
(3)InChIKey: PPYHXKUZTSZTQU-UHFFFAOYSA-N

Product Name

2-n-propyl-3-oxopentanoic acid

Pentanoic acid,3-oxo-2-propyl- Specification

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