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68441-03-2

Basic Information
CAS No.: 68441-03-2
Name: PHYTOSTEROLS
Molecular Structure:
Molecular Structure of 68441-03-2 (PHYTOSTEROLS)
Formula: C29H50O
Molecular Weight: 414.7067
Synonyms: Steroids,hydroxy, ethoxylated;BPS 30;Ethoxylated hydroxy steroids;Ethoxylatedsterols;Generol 115E5;Generol R-E 10;Nikkol BPS 10;Nikkol BPS 5;Nikkol BYS 20;Phytosterols, ethoxylated;
Density: 0.97 g/cm3
Boiling Point: 501.9 °C at 760 mmHg
Flash Point: 220.4 °C
PSA: 20.23000
LogP: 8.02480
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    Synonyms: PHYTOSTEROLS CAS: 68441-03-2 MF: MW: 0 EINECS: Product Categories: Mol File: Mol File

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Specification

The Sterols, ethoxylated, with the CAS registry number 68441-03-2, is also known as Phytosterols, ethoxylated. This chemical's molecular formula is C29H50O and formula weight is 414.7067. What's more, its systematic name is Steroids, hydroxy, ethoxylated. Its classification codes are: (1)TSCA Flag XU [Exempt from reporting under the Inventory Update Rule]; (2)TSCA UVCB.

Physical properties of Sterols, ethoxylated are: (1)ACD/LogP: 10.73; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.73; (4)#H bond acceptors: 1; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 7; (7)Polar Surface Area: 20.23 Å2; (8)Index of Refraction: 1.521; (9)Molar Refractivity: 129.21 cm3; (10)Molar Volume: 424.3 cm3; (11)Surface Tension: 37.6 dyne/cm; (12)Density: 0.97 g/cm3; (13)Flash Point: 220.4 °C; (14)Enthalpy of Vaporization: 88.77 kJ/mol; (15)Boiling Point: 501.9 °C at 760 mmHg; (16)Vapour Pressure: 3.53E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)[C@H](CC)CC[C@@H](C)[C@H]3CCC2[C@@H]4C\C=C1\C[C@@H](O)CC[C@]1(C)[C@H]4CC[C@@]23C
(2)InChI: InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26?,27+,28+,29-/m1/s1
(3)InChIKey: KZJWDPNRJALLNS-ICLVQLPZSA-N