Cas no 31796-73-3 (9-Octadecenoic acid(9Z)-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester)
31796-73-3 structure
Product Name:9-Octadecenoic acid(9Z)-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
CAS No:31796-73-3
MF:C28H50O2
MW:418.695409297943
CID:317329
PubChem ID:6443465
Update Time:2025-04-19
9-Octadecenoic acid(9Z)-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- 3,7-dimethylocta-1,6-dien-3-yl (Z)-octadec-9-enoate
- 9-Octadecenoic acid(9Z)-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
- Q27265341
- linalyl oleate
- SCHEMBL2787713
- Linalyl-oleate
- UNII-6QL355659E
- Oleic acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
- 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, OLEATE
- 9-OCTADECENOIC ACID (9Z)-, 1-ETHENYL-1,5-DIMETHYL-4-HEXEN-1-YL ESTER
- 6QL355659E
- 31796-73-3
-
- Inchi： 1S/C28H50O2/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27(29)30-28(5,7-2)25-22-23-26(3)4/h7,14-15,23H,2,6,8-13,16-22,24-25H2,1,3-5H3/b15-14-
- InChI Key： GQDLSFUDZVTTOY-PFONDFGASA-N
- SMILES： O(C(CCCCCCC/C=C\CCCCCCCC)=O)C(C=C)(C)CC/C=C(\C)/C
Computed Properties
- Exact Mass: 418.3813
- Monoisotopic Mass: 418.381081
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 30
- Rotatable Bond Count: 21
- Complexity: 485
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 10.8
Experimental Properties
- Density: 0.878
- Boiling Point: 482.2°Cat760mmHg
- Flash Point: 75.9°C
- Refractive Index: 1.471
- PSA: 26.3
9-Octadecenoic acid(9Z)-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester Related Literature
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
31796-73-3 (9-Octadecenoic acid(9Z)-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester) Related Products
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