9-Octadecenoic acid(9Z)-, propyl ester supplier

Name
PROPYL OLEATE
EINECS 203-885-3
CAS No. 111-59-1
Article Data32
CAS DataBase
Density 0.871 g/cm³
Solubility 2.83μg/L at 20℃
Melting Point -32.8 °C
Formula C₂₁H₄₀O₂
Boiling Point 400.6 °C at 760 mmHg
Molecular Weight 324.547
Flash Point 90.9 °C
Transport Information
Appearance liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 9-Octadecenoicacid (Z)-, propyl ester;Oleic acid, propyl ester (6CI,7CI,8CI);Emery 2302;Propyl (Z)-9-octadecenoate;Propyl oleate;
PSA 26.30000
LogP 6.97710

9-Octadecenoic acid(9Z)-, propyl ester Specification

The 9-Octadecenoic acid (9Z)-, propyl ester, with the CAS registry number 111-59-1, is also known as Propyl oleate. Its EINECS registry number is 203-885-3. This chemical's molecular formula is C₂₁H₄₀O₂ and molecular weight is 324.54. What's more, its IUPAC name is Propyl (Z)-octadec-9-enoate. In addition, it must be stored at -20°C

Physical properties about 9-Octadecenoic acid (9Z)-, propyl ester are: (1)ACD/LogP: 9.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.22; (4)ACD/LogD (pH 7.4): 9.22; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2479253.75; (8)ACD/KOC (pH 7.4): 2479253.75; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 101.17 cm³; (15)Molar Volume: 372.2 cm³; (16)Polarizability: 40.1×10^-24 cm³; (17)Surface Tension: 31.1 dyne/cm; (18)Density: 0.871 g/cm³; (19)Flash Point: 90.9 °C; (20)Enthalpy of Vaporization: 65.15 kJ/mol; (21)Boiling Point: 400.6 °C at 760 mmHg; (22)Vapour Pressure: 1.26E-06 mmHg at 25 °C.

Preparation of 9-Octadecenoic acid (9Z)-, propyl ester: this chemical is prepared by reaction of Octadec-9-enoic acid methyl ester with Propan-1-ol by heating. The reaction needs reagent (CH₃)₃SiCl. The reaction time is 2 hours. The yield is about 96 %.

The 9-Octadecenoic acid (9Z)- can be obtained by Octadec-9-enoic acid methyl ester and Propan-1-ol.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCC)CCCCCCC\C=C/CCCCCCCC
(2) InChI: InChI=1/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h11-12H,3-10,13-20H2,1-2H3/b12-11-
(3) InChIKey: BVWMJLIIGRDFEI-QXMHVHEDBA

Product Name

PROPYL OLEATE

9-Octadecenoic acid(9Z)-, propyl ester Specification

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