Cas no 84434-19-5 (Hexanoic acid,3-hexen-1-yl ester)
84434-19-5 structure
Product Name:Hexanoic acid,3-hexen-1-yl ester
CAS No:84434-19-5
MF:C12H22O2
MW:198.301884174347
CID:726059
PubChem ID:5352975
Update Time:2025-04-19
Hexanoic acid,3-hexen-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid,3-hexen-1-yl ester
- hex-3-enyl hexanoate
- (3E)-3-hexenyl hexanoate
- RGACQXBDYBCJCY-FNORWQNLSA-N
- AKOS006228672
- UNII-9K0X3I1C0O
- (E)-3-Hexen-1-ol, hexanoate
- HEXANOIC ACID, (3E)-3-HEXEN-1-YL ESTER
- Hexanoic acid, 3-hexenyl ester
- 56922-82-8
- 4A4GL78VUN
- Q27259331
- EINECS 260-444-8
- SCHEMBL310614
- LS-14142
- NS00087278
- [(E)-hex-3-enyl] hexanoate
- Hexanoic acid, 3-hexenyl ester, (E)-
- DTXSID901020175
- SCHEMBL21598309
- Hexanoic acid, (3E)-3-hexenyl ester
- 9K0X3I1C0O
- UNII-4A4GL78VUN
- trans-3-hexen-1-yl caproate
- (E)-Hex-3-enyl hexanoate
- EINECS 282-819-5
- trans-3-Hexenyl hexanoate
- 84434-19-5
- trans-3-Hexenyl caproate
- 3-Hexenyl hexanoate, (3E)-
- 3-Hexenyl hexanoate
-
- Inchi： 1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5+
- InChI Key： RGACQXBDYBCJCY-FNORWQNLSA-N
- SMILES： O(CC/C=C/CC)C(CCCCC)=O
Computed Properties
- Exact Mass: 198.16198
- Monoisotopic Mass: 198.16198
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 162
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 3.8
Experimental Properties
- Density: 0.886
- Boiling Point: 256.2°C at 760 mmHg
- Flash Point: 86.7°C
- Refractive Index: 1.444
Hexanoic acid,3-hexen-1-yl ester Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
84434-19-5 (Hexanoic acid,3-hexen-1-yl ester) Related Products
- 35154-45-1(cis-3-hexenyl isovalerate)
- 16491-36-4(cis-3-Hexenyl butyrate)
- 103213-60-1(13-Docosenoic acid,1,1'-anhydride, (13Z,13'Z)-)
- 143485-69-2(13-Docosenoic acid,9-octadecen-1-yl ester)
- 76649-16-6(Ethyl trans-4-decenoate)
- 9004-96-0(Poly(ethylene glycol) Monooleate (Technical Grade ~70%))
- 31501-11-8(cis-3-Hexenyl caproate)
- 142-77-8(Butyl Oleate)
- 17673-62-0(9,12-Octadecadienoicacid (9Z,12Z)-, (9Z,12Z)-9,12-octadecadien-1-yl ester)
- 108321-49-9(9-Hexadecenoic acid,dodecyl ester, (9Z)-)
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