-
Name
3-HYDROXYHEXADECANOIC ACID
- EINECS 212-129-1
- CAS No. 2398-34-7
- Article Data28
- CAS DataBase
- Density 0.955 g/cm3
- Solubility
- Melting Point 78-79 °C(Solv: ligroine (8032-32-4))
- Formula C16H32O3
- Boiling Point 405.5 °C at 760 mmHg
- Molecular Weight 272.428
- Flash Point 213.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms DL-BETA-HYDROXYPALMITIC ACID;3-HYDROXY C16:0 ACID;(+/-)-3-HYDROXYHEXADECANOIC ACID;3-HYDROXYHEXADECANOIC ACID;3-hydroxypalmitic acid;beta-Hydroxyhexadecanoic acid;beta-Hydroxypalmitate;beta-Hydroxypalmitic acid
- PSA 57.53000
- LogP 4.52310
Hexadecanoic acid, 3-hydroxy- Specification
This chemical is called Hexadecanoic acid, 3-hydroxy-, and it can also be named as 3-Hydroxypalmitic acid. With the molecular formula of C16H32O3, its molecular weight is 272.42. The CAS registry number of this chemical is 2398-34-7. Additionally, it should be stored at 2-8°C.
Other characteristics of the Hexadecanoic acid, 3-hydroxy- can be summarised as followings: (1)ACD/LogP: 5.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 2.21; (5)ACD/BCF (pH 5.5): 323.52; (6)ACD/BCF (pH 7.4): 5.31; (7)ACD/KOC (pH 5.5): 967.06; (8)ACD/KOC (pH 7.4): 15.86; (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)Polarizability: 31.41×10-24cm3; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 0.955 g/cm3; (19)Flash Point: 212.9 °C; (20)Enthalpy of Vaporization: 75.88 kJ/mol; (21)Boiling Point: 405 °C at 760 mmHg; (22)Vapour Pressure: 3.01E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CC(O)CCCCCCCCCCCCC
2.InChI: InChI=1/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
3.InChIKey: CBWALJHXHCJYTE-UHFFFAOYAR
Related Products
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- Hexadecanoic acid, 3-hydroxy-
- Hexadecanoic acid, hentriacontafluoro-
- Hexadecanoic acid, isononyl ester(9CI)
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- Hexadecanoic acid,1,1',1''-(1,2,3-propanetriyl) ester
- Hexadecanoic acid,1,1'-[(1S)-1-(hydroxymethyl)-1,2-ethanediyl] ester
- Hexadecanoic acid,1,1'-[1-(hydroxymethyl)-1,2-ethanediyl] ester
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