CAS No.27147-71-3,2-METHYLHEXADECANOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	27147-71-3
Name:	2-METHYLHEXADECANOIC ACID
Article Data:	11

Formula:	C₁₇H₃₄O₂
Molecular Weight:	270.456
Synonyms:	(dl)-2-Methylhexadecanoicacid;2-Methylhexadecanoic acid;2-Methylpalmitic acid;alpha-Methylpalmitic acid;2-Methylpalmitic acid;
EINECS:	248-262-7
Density:	0.889 g/cm³
Melting Point:	48 °C
Boiling Point:	386.1 °C at 760 mmHg
Flash Point:	216.6 °C
PSA:	37.30000
LogP:	5.79830

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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