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9005-07-6

Basic Information
CAS No.: 9005-07-6
Name: POLY(ETHYLENE GLYCOL) DIOLEATE
Molecular Structure:
Molecular Structure of 9005-07-6 (POLY(ETHYLENE GLYCOL) DIOLEATE)
Formula: (C2H4O)multC36H66O3
Molecular Weight: 590.96000
Synonyms: Poly(oxy-1,2-ethanediyl),R-[(9Z)-1-oxo-9- octadecenyl]-?-[[(9Z)-1-oxo-9-octadecenyl]- oxy]-;Alkasurf 600DO;Ionet DO;Alkamuls 600DO;Cithrol 4DO;Mapeg 400DO;Alkasurf 400DO;Mapeg 200DO;Marlosol FS;Emalex 300di-O;Mapeg 600DO;Emalex 600di-O;Marlipal FS;PEG-8 dioleate;PEG 600 dioleate;PEG 400 dioleate;Polyethylene glycol 400 dioleate acid ester.;PEG-N dioleate;
EINECS: 213-170-8
Density: 0.909g/cm3
Melting Point: -15oC(lit.)
Boiling Point: >260oC(lit.)
Flash Point: 299.3oC
PSA: 52.60000
LogP: 12.14780
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Specification

The Emerest 2648, with CAS registry number 9005-07-6, has the systematic name of ethane-1,2-diyl (9Z,9'Z)bis-octadec-9-enoate. This chemical is a kind of liquid. And its classification code is TSCA Flag XU [Exempt from reporting under the Inventory Update Rule]. And the chemical formula of this chemical is C38H70O4.

Physical properties of Emerest 2648: (1)ACD/LogP: 15.91; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 15.91; (4)ACD/LogD (pH 7.4): 15.91; (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: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 35; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 181.76 cm3; (15)Molar Volume: 649.9 cm3; (16)Polarizability: 72.05×10-24cm3; (17)Surface Tension: 33.8 dyne/cm; (18)Enthalpy of Vaporization: 93.67 kJ/mol; (19)Vapour Pressure: 5.83E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCOC(=O)CCCCCCC/C=C\CCCCCCCC)CCCCCCC/C=C\CCCCCCCC
(2)InChI: InChI=1/C38H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3/b19-17-,20-18-
(3)InChIKey: NKSOSPOXQKNIKJ-CLFAGFIQBY
(4)Std. InChI: InChI=1S/C38H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3/b19-17-,20-18-
(5)Std. InChIKey: NKSOSPOXQKNIKJ-CLFAGFIQSA-N