Cas no 78417-28-4 (2,4,7-Decatrienoicacid, ethyl ester)
78417-28-4 structure
Product Name:2,4,7-Decatrienoicacid, ethyl ester
CAS No:78417-28-4
MF:C10H14O2
MW:166.216963291168
CID:572524
PubChem ID:18916326
Update Time:2025-04-19
2,4,7-Decatrienoicacid, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2,4,7-Decatrienoicacid, ethyl ester
- ETHYL 2,4,7-DECATRIENOATE
-
- Inchi: 1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h3-4,6-9H,2,5H2,1H3,(H,11,12)/b4-3+,7-6+,9-8+
- InChI Key: VNIDZLOWFDROIW-SIRUGEDZSA-N
- SMILES: OC(/C=C/C=C/C/C=C/CC)=O
Computed Properties
- Exact Mass: 194.13068
- Monoisotopic Mass: 194.13068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 225
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 2.6
Experimental Properties
- Density: 0.92
- Boiling Point: 281.6°C at 760 mmHg
- Flash Point: 139.9°C
- Refractive Index: 1.476
- FEMA: 3832 | ETHYL 2,4,7-DECATRIENOATE
2,4,7-Decatrienoicacid, ethyl ester Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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