Hexadecanoic acid,2-methyl- supplier

Name
2-METHYLHEXADECANOIC ACID
EINECS 248-262-7
CAS No. 27147-71-3
Article Data11
CAS DataBase
Density 0.889 g/cm³
Solubility
Melting Point 48 °C
Formula C₁₇H₃₄O₂
Boiling Point 386.1 °C at 760 mmHg
Molecular Weight 270.456
Flash Point 216.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (dl)-2-Methylhexadecanoicacid;2-Methylhexadecanoic acid;2-Methylpalmitic acid;alpha-Methylpalmitic acid;2-Methylpalmitic acid;
PSA 37.30000
LogP 5.79830

Hexadecanoic acid,2-methyl- Specification

The Hexadecanoic acid,2-methyl-, with the CAS registry number 27147-71-3, is also known as 2-Methylpalmitic acid. Its EINECS number is 248-262-7. This chemical's molecular formula is C₁₇H₃₄O₂ and molecular weight is 270.45. What's more, its IUPAC name is 2-methylhexadecanoic acid.

Physical properties of Hexadecanoic acid,2-methyl- are: (1)ACD/LogP: 7.50; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.74; (4)ACD/LogD (pH 7.4): 4.95; (5)ACD/BCF (pH 5.5): 50895.66; (6)ACD/BCF (pH 7.4): 823.62; (7)ACD/KOC (pH 5.5): 49372.35; (8)ACD/KOC (pH 7.4): 798.97; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 82.33 cm³; (15)Molar Volume: 304.1 cm³; (16)Surface Tension: 32.7 dyne/cm; (17)Density: 0.889 g/cm³; (18)Flash Point: 216.6 °C; (19)Enthalpy of Vaporization: 69.71 kJ/mol; (20)Boiling Point: 386.1 °C at 760 mmHg; (21)Vapour Pressure: 4.94E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCC(C)C(=O)O
(2)InChI: InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
(3)InChIKey: AXPAUZGVNGEWJD-UHFFFAOYSA-N

Product Name

2-METHYLHEXADECANOIC ACID

Hexadecanoic acid,2-methyl- Specification

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