Cas no 1576-78-9 (3-Hepten-1-ol,1-acetate, (3Z)-)
1576-78-9 structure
Product Name:3-Hepten-1-ol,1-acetate, (3Z)-
CAS No:1576-78-9
MF:C9H16O2
MW:156.222143173218
CID:144326
PubChem ID:21159742
Update Time:2025-04-19
3-Hepten-1-ol,1-acetate, (3Z)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Hepten-1-ol,1-acetate, (3Z)-
- [(E)-hept-3-enyl] acetate
- CIS-3-HEPTENYL ACETATE
- 3-Hepten-1-yl acetate
- 3-Heptenyl acetate,trans
- EINECS 216-411-5
- FEMA No. 3493
- trans-3-Heptenyl acetate
- acetate, (z)-3-hepten-1-o
- 3-Hepten-1-ol,acetate,(Z)-
- CIS-3-HEPTENYLACETATE
- AAYIYWGTGAUKQY-WAYWQWQTSA-N
- 3-Hepten-1-ol, 1-acetate, (3E)-
- 1576-78-9
- (3Z)-3-Hepten-1-ol acetate
- [(Z)-hept-3-enyl] acetate
- SCHEMBL17627773
- AKOS006273380
- Q63391564
- 3-Hepten-1-ol, acetate, (3Z)-
- (Z)-3-Heptenyl acetate
-
- Inchi： 1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5-
- InChI Key： AAYIYWGTGAUKQY-WAYWQWQTSA-N
- SMILES： O(C(C)=O)CC/C=C\CCC
Computed Properties
- Exact Mass: 156.11500
- Monoisotopic Mass: 156.11503
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 128
- 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: 2.4
Experimental Properties
- Density: 0.896
- Boiling Point: 196.2°C at 760 mmHg
- Flash Point: 73.8°C
- Refractive Index: 1.436
- PSA: 26.30000
- LogP: 2.29590
3-Hepten-1-ol,1-acetate, (3Z)- Related Literature
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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
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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