Heptadecanoic acid,2-methyl- supplier

Name
2-methylheptadecanoic acid
EINECS 227-085-9
CAS No. 5638-12-0
Density 0.887 g/cm³
Solubility
Melting Point 51-51.5 °C
Formula C₁₈H₃₆O₂
Boiling Point 400.8 °C at 760 mmHg
Molecular Weight 284.483
Flash Point 225.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methylheptadecanoicacid;16-Methyl margaric acid;
PSA 37.30000
LogP 6.18840

Heptadecanoic acid,2-methyl- Specification

The Heptadecanoic acid,2-methyl-, with the CAS registry number 5638-12-0, is also known as 16-Methyl margaric acid. Its EINECS number is 227-085-9. This chemical's molecular formula is C₁₈H₃₆O₂ and molecular weight is 284.48. What's more, its systematic name is 16-Methylheptadecanoic acid.

Physical properties of Heptadecanoic acid,2-methyl- are: (1)ACD/LogP: 8.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.24; (4)ACD/LogD (pH 7.4): 5.44; (5)ACD/BCF (pH 5.5): 119777.13; (6)ACD/BCF (pH 7.4): 1921.53; (7)ACD/KOC (pH 5.5): 89208.37; (8)ACD/KOC (pH 7.4): 1431.13; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 86.96 cm³; (15)Molar Volume: 320.6 cm³; (16)Polarizability: 34.47×10^-24 cm³; (17)Surface Tension: 32.8 dyne/cm; (18)Density: 0.887 g/cm³; (19)Flash Point: 225.6 °C; (20)Enthalpy of Vaporization: 71.52 kJ/mol; (21)Boiling Point: 400.8 °C at 760 mmHg; (22)Vapour Pressure: 1.52E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCCCCCCCCCC(C)C
(2)InChI: InChI=1/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
(3)InChIKey: XDOFQFKRPWOURC-UHFFFAOYAQ

Product Name

2-methylheptadecanoic acid

Heptadecanoic acid,2-methyl- Specification

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