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Witafrol 7470

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Name

Witafrol 7470

EINECS 253-407-2
CAS No. 37220-82-9 Density 0.969 g/cm3
Solubility Melting Point
Formula C21H40O4 Boiling Point 485.4 °C at 760 mmHg
Molecular Weight 356.5399 Flash Point 156.3 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 37220-82-9 (Witafrol 7470) Hazard Symbols
Synonyms

Atmer 121;Atmul 84;9-Octadecenoic acid (9Z)-,esters,ester with 1,2,3-propanetriol;Priolene 6973;D 2-2245;Atmos 300;Rikemal OL 200;Monomuls 60O18;Olein;Tegomuls O;Rilanit GMO;Rilanit GDO;Arlacel 186;Rikemal OL 95;Tegin O;Tegomul O;Capmul GMO;Dur-Em 104;Glyceryl oleate;

 

Witafrol 7470 Specification

The Witafrol 7470, with the CAS registry number 37220-82-9, is also known as 1,3-Dihydroxypropan-2-yl (9Z)-octadec-9-enoate. Its EINECS registry number is 253-407-2. This chemical's molecular formula is C21H40O4 and molecular weight is 356.5399. What's more, its systematic name is called 2-Hydroxy-1-(hydroxymethyl)ethyl (9Z)-octadec-9-enoate.

Physical properties about Witafrol 7470 are: (1)ACD/LogP: 6.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.94; (4)ACD/LogD (pH 7.4): 6.94; (5)ACD/BCF (pH 5.5): 110742.64; (6)ACD/BCF (pH 7.4): 110742.52; (7)ACD/KOC (pH 5.5): 142003.45; (8)ACD/KOC (pH 7.4): 142003.3; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 104.2 cm3; (15)Molar Volume: 367.6 cm3; (16)Surface Tension: 37.5 dyne/cm; (17)Density: 0.969 g/cm3; (18)Flash Point: 156.3 °C; (19)Enthalpy of Vaporization: 86.52 kJ/mol; (20)Boiling Point: 485.4 °C at 760 mmHg; (21)Vapour Pressure: 1.86E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(CO)CO)CCCCCCC\C=C/CCCCCCCC
(2) InChI: InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
(3) InChIKey: UPWGQKDVAURUGE-KTKRTIGZBO

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