Cas no 89300-15-2 (3-[(1Z,3Z,5Z,7Z,9Z)-dodeca-1,3,5,7,9-pentaen-1-yloxy]propane-1,2-diol)
![3-[(1Z,3Z,5Z,7Z,9Z)-dodeca-1,3,5,7,9-pentaen-1-yloxy]propane-1,2-diol structure](https://ossimg.kuujia.com/scimg/89500/89300-15-2x500.png)
89300-15-2 structure
Product Name:3-[(1Z,3Z,5Z,7Z,9Z)-dodeca-1,3,5,7,9-pentaen-1-yloxy]propane-1,2-diol
CAS No:89300-15-2
MF:C15H22O3
MW:250.333384990692
CID:1940371
PubChem ID:6441994
Update Time:2025-04-21
3-[(1Z,3Z,5Z,7Z,9Z)-dodeca-1,3,5,7,9-pentaen-1-yloxy]propane-1,2-diol Chemical and Physical Properties
Names and Identifiers
-
- 3-[(1Z,3Z,5Z,7Z,9Z)-dodeca-1,3,5,7,9-pentaen-1-yloxy]propane-1,2-diol
- 3-[(1Z,3Z,5Z,7Z,9Z)-dodeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol
- NIOSH/TY6395100
- 89300-15-2
- cis-Fecapentaene 12
- DTXSID301034025
- CCRIS 3997
- (ALL E)-(+/-)-3-(1,3,5,7,9-DODECAPENTAENYLOXY)-1,2-PROPANEDIOL
- 3-(1,3,5,7,9-Dodecapentaenyloxy)-1,2-propanediol
- TY63951000
- 1,2-Propanediol, 3-(1,3,5,7,9-dodecapentaenyloxy)-, (all-Z)-
- (all E)-(+-)-3-(1,3,5,7,9-Dodecapentaenyloxy)-1,2-propanediol
- (all-Z)-3-(1,3,5,7,9-Dodecapentaenyloxy)-1,2-propanediol
-
- Inchi： 1S/C15H22O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17)13-16/h3-12,15-17H,2,13-14H2,1H3/b4-3+,6-5+,8-7+,10-9+,12-11+
- InChI Key： CQBOBCAMYWRTNO-STAPSFGWSA-N
- SMILES： CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O
Computed Properties
- Exact Mass: 250.156895
- Monoisotopic Mass: 250.156895
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 312
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 5
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 49.7
- XLogP3: 2.8
Experimental Properties
- Density: 1.017
- Boiling Point: 442.5°C at 760 mmHg
- Flash Point: 221.4°C
- Refractive Index: 1.535
3-[(1Z,3Z,5Z,7Z,9Z)-dodeca-1,3,5,7,9-pentaen-1-yloxy]propane-1,2-diol Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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