Isohexadecanol supplier | CasNO.36311-34-9

Name
Isohexadecanol
EINECS 252-964-9
CAS No. 36311-34-9
Density 0.835 g/cm³
Solubility
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
Appearance COA
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ceraphylica;FOC 1600;Fine Oxocol 1600;Isocetyl alcohol;Isohexadecyl alcohol;Isopalmitic alcohol;Isopalmityl alcohol;Standamul GT 16;
PSA 20.23000
LogP 5.31590

Isohexadecanol Specification

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

Product Name

Isohexadecanol

Isohexadecanol Specification

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