CAS No.10401-55-5,RICINOLEIC ACID N-HEXADECYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10401-55-5
Name:	RICINOLEIC ACID N-HEXADECYL ESTER

Formula:	C₃₄H₆₆O₃
Molecular Weight:	522.89
Synonyms:	9-Octadecenoicacid, 12-hydroxy-, hexadecyl ester, [R-(Z)]-;Ricinoleic acid, hexadecyl ester(8CI);Cetyl ricinoleate;Nature Chem CR;Hexadecyl (9Z,12R)-12-hydroxyoctadec-9-enoate;
EINECS:	233-864-4
Density:	0.894 g/cm³
Boiling Point:	596.985 °C at 760 mmHg
Flash Point:	208.783 °C
PSA:	46.53000
LogP:	11.01920

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Specification

The 9-Octadecenoic acid,12-hydroxy-, hexadecyl ester, (9Z,12R)- is an organic compound with the formula C₃₄H₆₆O₃. The IUPAC name of this chemical is hexadecyl (Z,12R)-12-hydroxyoctadec-9-enoate. With the CAS registry number 10401-55-5 and EINECS 233-864-4, it is also named as Hexadecyl 12-hydroxy-9-octadecenoate. In addition, this chemical should be sealed in the container and stored in the cool and dry place..

The other characteristics of 9-Octadecenoic acid,12-hydroxy-, hexadecyl ester, (9Z,12R)- can be summarized as: (1)ACD/LogP: 14.13; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 14.13; (4)ACD/LogD (pH 7.4): 14.13; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 32; (8)Polar Surface Area: 35.53 Å²; (9)Index of Refraction: 1.469; (10)Molar Refractivity: 162.89 cm³; (11)Molar Volume: 584.7 cm³; (12)Polarizability: 64.57×10^-24 cm³; (13)Surface Tension: 33.8 dyne/cm; (14)Enthalpy of Vaporization: 102.04 kJ/mol; (15)Vapour Pressure: 9.67E-17 mmHg at 25°C; (16)Rotatable Bond Count: 31; (17)Exact Mass: 522.501196; (18)MonoIsotopic Mass: 522.501196; (19)Topological Polar Surface Area: 46.5; (20)Heavy Atom Count: 37; (21)Complexity: 474.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCCCCCCCCCCCCCCCC)CCCCCCC\C=C/C[C@H](O)CCCCCC
2. InChI:InChI=1/C34H66O3/c1-3-5-7-9-10-11-12-13-14-15-18-21-24-28-32-37-34(36)31-27-23-20-17-16-19-22-26-30-33(35)29-25-8-6-4-2/h22,26,33,35H,3-21,23-25,27-32H2,1-2H3/b26-22-/t33-/m1/s1
3. InChIKey:XAMHKORMKJIEFW-AYTKPMRMBQ
4. Std. InChI:InChI=1S/C34H66O3/c1-3-5-7-9-10-11-12-13-14-15-18-21-24-28-32-37-34(36)31-27-23-20-17-16-19-22-26-30-33(35)29-25-8-6-4-2/h22,26,33,35H,3-21,23-25,27-32H2,1-2H3/b26-22-/t33-/m1/s1
5. Std. InChIKey:XAMHKORMKJIEFW-AYTKPMRMSA-N