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72388-18-2

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Basic Information
CAS No.: 72388-18-2
Name: 2-dodecylhexadecan-1-ol
Molecular Structure:
Molecular Structure of 72388-18-2 (2-dodecylhexadecan-1-ol)
Formula: C28H58O
Molecular Weight: 410.75952
Synonyms: 2-Dodecyl-1-hexadecanol;Guerbet C28;Guerbet C28 alcohol;Guerbet octacosanol;Isofol 28;
EINECS: 276-627-0
Density: 0.84 g/cm3
Melting Point: 35 °C
Boiling Point: 452.1 °C at 760 mmHg
Flash Point: 133.6 °C
Solubility: 0.41ng/L at 25℃
PSA: 20.23000
LogP: 9.99710
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Specification

The 1-Hexadecanol, 2-dodecyl-, with the CAS registry number of 72388-18-2, is also known as 2-Dodecyl-1-hexadecanol. Its EINECS registry number is 276-627-0. This chemical's molecular formula is C28H58O and molecular weight is 410.75952. What's more, its IUPAC name is 2-Dodecylhexadecan-1-ol. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about 1-Hexadecanol, 2-dodecyl- are: (1)ACD/LogP: 13.44; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 13.44; (4)ACD/LogD (pH 7.4): 13.44; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 26; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 133.26 cm3; (15)Molar Volume: 488.6 cm3; (16)Surface Tension: 31.7 dyne/cm; (17)Density: 0.84 g/cm3; (18)Flash Point: 133.6 °C; (19)Enthalpy of Vaporization: 82.06 kJ/mol; (20)Boiling Point: 452.1 °C at 760 mmHg; (21)Vapour Pressure: 4.47E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC(CCCCCCCCCCCCCC)CCCCCCCCCCCC
(2) InChI: InChI=1/C28H58O/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28(27-29)25-23-21-19-17-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3
(3) InChIKey: DEMBLPGWNXUBIQ-UHFFFAOYAQ