1-Hexadecanol,1-(dihydrogen phosphate) supplier

Name
AMPHISOL A
EINECS 222-581-1
CAS No. 3539-43-3
Article Data25
CAS DataBase
Density 1.013 g/cm³
Solubility 1mg/L at 25℃
Melting Point 71 °C
Formula C₁₆H₃₅O₄P
Boiling Point 439.8 °C at 760 mmHg
Molecular Weight 322.425
Flash Point 219.8 °C
Transport Information
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Molecular Structure
Hazard Symbols
Synonyms 1-Hexadecanol,dihydrogen phosphate (8CI,9CI);Hexadecyl phosphate (6CI,7CI);Cetyl dihydrogenphosphate;Dihydrogen monohexadecyl phosphate;Hexadecyl dihydrogen phosphate;Hostaphat CC 100;MAP 60H;Monafax 160;Mono-n-hexadecyl phosphate;Monocetylphosphate;Monohexadecyl phosphate;Monopalmityl phosphate;Phosphoric acidmonohexadecyl ester;
PSA 76.57000
LogP 5.57700

1-Hexadecanol,1-(dihydrogen phosphate) Specification

The 1-Hexadecanol,1-(dihydrogen phosphate), with the CAS registry number 3539-43-3 and EINECS registry number 222-581-1, has the systematic name and IUPAC name of hexadecyl dihydrogen phosphate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₆H₃₅O₄P.

The characteristics of 1-Hexadecanol,1-(dihydrogen phosphate) are as followings: (1)ACD/LogP: 6.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 22.47; (6)ACD/BCF (pH 7.4): 2.55; (7)ACD/KOC (pH 5.5): 38.07; (8)ACD/KOC (pH 7.4): 4.32; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 54.57 Å²; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 87.86 cm³; (15)Molar Volume: 318.1 cm³; (16)Polarizability: 34.83×10^-24cm³; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.013 g/cm³; (19)Flash Point: 219.8 °C; (20)Enthalpy of Vaporization: 76.39 kJ/mol; (21)Boiling Point: 439.8 °C at 760 mmHg; (22)Vapour Pressure: 5.8E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=P(OCCCCCCCCCCCCCCCC)(O)O
(2)InChI: InChI=1/C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H2,17,18,19)
(3)InChIKey: ZUVCYFMOHFTGDM-UHFFFAOYAE

Product Name

AMPHISOL A

1-Hexadecanol,1-(dihydrogen phosphate) Specification

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