Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
9-Octadecenoicacid, 12-hydroxy- |
EINECS | N/A |
CAS No. | 7431-95-0 | Density | 0.957 g/cm3 |
PSA | 57.53000 | LogP | 5.07930 |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H34O3 | Boiling Point | 416.4 °C at 760 mmHg |
Molecular Weight | 298.466 | Flash Point | 219.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
12-Hydroxyoctadecen-9-oicacid;NSC 179694;12-hydroxyoctadec-9-enoic acid;9-octadecenoic acid, 12-hydroxy-; |
Article Data | 47 |
The 9-Octadecenoicacid, 12-hydroxy-, with the CAS registry number 7431-95-0, has the systematic name of 12-hydroxyoctadec-9-enoic acid. And the molecular formula of this chemical is C18H34O3. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of 9-Octadecenoicacid, 12-hydroxy- are as following: (1)ACD/LogP: 5.70; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.9; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 2016.51; (6)ACD/BCF (pH 7.4): 32.34; (7)ACD/KOC (pH 5.5): 4788.76; (8)ACD/KOC (pH 7.4): 76.79; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 88.55 cm3; (15)Molar Volume: 311.7 cm3; (16)Polarizability: 35.1×10-24cm3; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 0.957 g/cm3; (19)Flash Point: 219.8 °C; (20)Enthalpy of Vaporization: 77.36 kJ/mol; (21)Boiling Point: 416.4 °C at 760 mmHg; (22)Vapour Pressure: 1.12E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCCC=CCC(O)CCCCCC
(2)InChI: InChI=1/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)
(3)InChIKey: WBHHMMIMDMUBKC-UHFFFAOYAQ