Cas no 56922-82-8 (Hexanoic acid,(3E)-3-hexen-1-yl ester)
56922-82-8 structure
Product Name:Hexanoic acid,(3E)-3-hexen-1-yl ester
CAS No:56922-82-8
MF:C12H22O2
MW:198.301884174347
CID:375742
PubChem ID:5352975
Update Time:2025-04-19
Hexanoic acid,(3E)-3-hexen-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid,(3E)-3-hexen-1-yl ester
- (E)-hex-3-enyl hexanoate
- (E)-3-Hexen-1-ol, hexanoate
- (3E)-3-hexenyl hexanoate
- RGACQXBDYBCJCY-FNORWQNLSA-N
- AKOS006228672
- UNII-9K0X3I1C0O
- 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
- 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: 198.16206
- Monoisotopic Mass: 198.161979940g/mol
- 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
- XLogP3: 3.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Hexanoic acid,(3E)-3-hexen-1-yl ester Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
56922-82-8 (Hexanoic acid,(3E)-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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