8-Hexadecanone,9-hydroxy- supplier

Name
9-hydroxyhexadecan-8-one
EINECS 224-678-4
CAS No. 4444-11-5
Article Data17
CAS DataBase
Density 0.891 g/cm³
Solubility
Melting Point
Formula C₁₆H₃₂O₂
Boiling Point 287.1 °C at 760 mmHg
Molecular Weight 256.429
Flash Point 120.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 9-Hydroxy-8-hexadecanone;Capryloin;Octanoin;Octyloin;
PSA 37.30000
LogP 4.63740

8-Hexadecanone,9-hydroxy- Specification

The 8-Hexadecanone,9-hydroxy- is an organic compound with the formula C₁₆H₃₂O₂. The IUPAC name of this chemical is 9-hydroxyhexadecan-8-one. With the CAS registry number 4444-11-5, it is also named as 9-Hydroxy-8-hexadecanone.

Physical properties about 8-Hexadecanone,9-hydroxy- are: (1)ACD/LogP: 5.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.94; (4)ACD/LogD (pH 7.4): 5.94; (5)ACD/BCF (pH 5.5): 19370.69; (6)ACD/BCF (pH 7.4): 19370.65; (7)ACD/KOC (pH 5.5): 40768.51; (8)ACD/KOC (pH 7.4): 40768.42; (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: 1.452; (14)Molar Refractivity: 77.69 cm³; (15)Molar Volume: 287.6 cm³; (16)Polarizability: 30.8×10^-24cm³; (17)Surface Tension: 32.7 dyne/cm; (18)Density: 0.891 g/cm³; (19)Flash Point: 120.6 °C; (20)Enthalpy of Vaporization: 61.07 kJ/mol; (21)Boiling Point: 287.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000286 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(O)CCCCCCC)CCCCCCC
(2)InChI: InChI=1/C16H32O2/c1-3-5-7-9-11-13-15(17)16(18)14-12-10-8-6-4-2/h15,17H,3-14H2,1-2H3
(3)InChIKey: GEOUKYZTVQMHGL-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15(17)16(18)14-12-10-8-6-4-2/h15,17H,3-14H2,1-2H3
(5)Std. InChIKey: GEOUKYZTVQMHGL-UHFFFAOYSA-N

Product Name

9-hydroxyhexadecan-8-one

8-Hexadecanone,9-hydroxy- Specification

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