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| CAS No.: | 764-67-0 |
|---|---|
| Name: | 2-HYDROXYHEXADECANOIC ACID |
| Molecular Structure: | |
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| Formula: | C16H32O3 |
| Molecular Weight: | 272.428 |
| Synonyms: | 5S-Hydroxy-hexadecanoic acid;14S-Hydroxy-hexadecanoic acid; |
| EINECS: | 212-129-1 |
| Density: | 0.955 g/cm3 |
| Melting Point: | 86 °C |
| Boiling Point: | 405.5 °C at 760 mmHg |
| Flash Point: | 213.2 °C |
| Appearance: | White powder |
| PSA: | 57.53000 |
| LogP: | 4.52310 |
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Specification
The Hexadecanoic acid,2-hydroxy-, with the CAS registry number 764-67-0, is also known as 5S-Hydroxy-hexadecanoic acid and 14S-Hydroxy-hexadecanoic acid. It belongs to the product category of Fatty & Aliphatic Acids, Esters, Alcohols & Derivatives. Its EINECS registry number is 212-129-1. This chemical's molecular formula is C16H32O3 and molecular weight is 272.42. What's more, both its IUPAC name and systematic name are the same which is called 2-Hydroxyhexadecanoic acid.
Physical properties about this chemical are: (1)ACD/LogP: 6.21; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.1; (4)ACD/LogD (pH 7.4): 2.65; (5)ACD/BCF (pH 5.5): 241.57; (6)ACD/BCF (pH 7.4): 8.48; (7)ACD/KOC (pH 5.5): 445.51; (8)ACD/KOC (pH 7.4): 15.63; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 79.23 cm3; (15)Molar Volume: 285.1 cm3; (16)Surface Tension: 37.2 dyne/cm; (17)Density: 0.955 g/cm3; (18)Flash Point: 213.2 °C; (19)Enthalpy of Vaporization: 75.94 kJ/mol; (20)Boiling Point: 405.5 °C at 760 mmHg; (21)Vapour Pressure: 2.89E-08 mmHg at 25 °C; (22)Melting Point: 86 °C.
Uses of Hexadecanoic acid,2-hydroxy-: it is used to produce other chemicals. For example, it is used to produce Pentadecanal.
The reaction occurs with reagents Lead (IV)-acetate, Glacial acetic acid at temperature of 60-70 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(O)CCCCCCCCCCCCCC
(2) InChI: InChI=1/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
(3) InChIKey: JGHSBPIZNUXPLA-UHFFFAOYAI