Basic Information | Post buying leads | Suppliers |
Name |
Cetyl ricinoleate |
EINECS | 233-864-4 |
CAS No. | 10401-55-5 | Density | 0.894 g/cm3 |
PSA | 46.53000 | LogP | 11.01920 |
Solubility | N/A | Melting Point |
N/A |
Formula | C34H66O3 | Boiling Point | 596.985 °C at 760 mmHg |
Molecular Weight | 522.89 | Flash Point | 208.783 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
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