Cas no 65466-10-6 (2-Penten-1-ol,1-benzoate, (2Z)-)
65466-10-6 structure
Product Name:2-Penten-1-ol,1-benzoate, (2Z)-
CAS No:65466-10-6
MF:C12H14O2
MW:190.238363742828
CID:509778
PubChem ID:20838769
Update Time:2025-04-19
2-Penten-1-ol,1-benzoate, (2Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Penten-1-ol,1-benzoate, (2Z)-
- (Z)-pent-2-en-1-yl benzoate
- [(E)-pent-2-enyl] benzoate
- (2E)-pent-2-en-1-yl benzoate
- 2-Penten-1-ol, benzoate, (2Z)-
- cis-2-Pentenyl benzoate
- DTXSID901302121
- NS00055331
- 2-Penten-1-ol, 1-benzoate, (2Z)-
- SCHEMBL15869143
- 65466-10-6
-
- Inchi： 1S/C12H14O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h3-9H,2,10H2,1H3/b7-3-
- InChI Key： CSDCIXOZTUVBQA-CLTKARDFSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)C/C=C\CC
Computed Properties
- Exact Mass: 190.09942
- Monoisotopic Mass: 190.09938
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 191
- 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: 3.1
- Topological Polar Surface Area: 26.3
Experimental Properties
- Density: 1.017
- Boiling Point: 281.1°C at 760 mmHg
- Flash Point: 123.9°C
- Refractive Index: 1.517
- PSA: 26.3
2-Penten-1-ol,1-benzoate, (2Z)- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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