Cas no 28380-08-7 (2,6-Dodecadienoic acid,ethyl ester, (2E,6Z)-)
28380-08-7 structure
Product Name:2,6-Dodecadienoic acid,ethyl ester, (2E,6Z)-
CAS No:28380-08-7
MF:C14H24O2
MW:224.339164733887
CID:285490
PubChem ID:6438206
Update Time:2025-04-19
2,6-Dodecadienoic acid,ethyl ester, (2E,6Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Dodecadienoic acid,ethyl ester, (2E,6Z)-
- Ethyl (2E,6Z)-dodeca-2,6-dienoate
- 28380-08-7
- UCS2UAA45N
- DTXSID201301489
- ethyl (2E,6Z)-2,6-dodecadienoate
- NS00047752
- ETHYL 2-TRANS,6-CIS-DODECADIENOATE
- ethyl trans,cis-2,6-dodecadienoate
- SCHEMBL4410947
- 2,6-Dodecadienoic acid, ethyl ester, (2E,6Z)-
- LMFA07010845
- 2,6-DODECADIENOIC ACID, ETHYL ESTER, (E,Z)-
- UNII-UCS2UAA45N
- CHEBI:168253
- Ethyl (2E,6Z)-dodecadienoate
- EINECS 248-997-3
-
- Inchi： 1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h8-9,12-13H,3-7,10-11H2,1-2H3/b9-8-,13-12+
- InChI Key： AASSLPGKTZCKLS-YILALFFRSA-N
- SMILES： O(CC)C(/C=C/CC/C=C\CCCCC)=O
Computed Properties
- Exact Mass: 224.17772
- Monoisotopic Mass: 224.17763
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 10
- Complexity: 217
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 4.6
Experimental Properties
- Density: 0.896
- Boiling Point: 303.1°Cat760mmHg
- Flash Point: 141°C
- Refractive Index: 1.461
- PSA: 26.3
2,6-Dodecadienoic acid,ethyl ester, (2E,6Z)- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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