Basic Information | Post buying leads | Suppliers |
Name |
Isohexadecanol |
EINECS | 252-964-9 |
CAS No. | 36311-34-9 | Density | 0.835 g/cm3 |
PSA | 20.23000 | LogP | 5.31590 |
Solubility | N/A | Melting Point |
49.3oC |
Formula | C16H34O | Boiling Point | 304.4 °C at 760 mmHg |
Molecular Weight | 242.44056 | Flash Point | 117.8 °C |
Transport Information | N/A | Appearance | COA |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ceraphylica;FOC 1600;Fine Oxocol 1600;Isocetyl alcohol;Isohexadecyl alcohol;Isopalmitic alcohol;Isopalmityl alcohol;Standamul GT 16; |
The CAS register number of Isohexadecanol is 36311-34-9. It also can be called as Isocetyl alcohol and the IUPAC name about this chemical is hexadecan-1-ol. The molecular formula about this chemical is C16H34O and the molecular weight is 242.44.
Physical properties about Isohexadecanol are: (1)ACD/LogP: 7.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.07; (4)ACD/LogD (pH 7.4): 7.07; (5)ACD/BCF (pH 5.5): 138440.91; (6)ACD/BCF (pH 7.4): 138440.91; (7)ACD/KOC (pH 5.5): 166607.47; (8)ACD/KOC (pH 7.4): 166607.47; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 9.23Å2; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 77.66 cm3; (15)Molar Volume: 290.5 cm3; (16)Polarizability: 30.79x10-24cm3; (17)Surface Tension: 30.5 dyne/cm; (18)Enthalpy of Vaporization: 63.18 kJ/mol; (19)Boiling Point: 304.4 °C at 760 mmHg; (20)Vapour Pressure: 8.34E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCCCCCCCCCCCCC(C)C
(2)InChI: InChI=1/C16H34O/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17/h16-17H,3-15H2,1-2H3
(3)InChIKey: CFSSWEQYBLCBLH-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C16H34O/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17/h16-17H,3-15H2,1-2H3
(5)Std. InChIKey: CFSSWEQYBLCBLH-UHFFFAOYSA-N