Cas no 10352-87-1 (2-Butenoic acid, propylester)
2-Butenoic acid, propylester structure
Product Name:2-Butenoic acid, propylester
CAS No:10352-87-1
MF:C7H12O2
MW:128.168982505798
CID:217905
PubChem ID:5365824
Update Time:2025-04-19
2-Butenoic acid, propylester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, propylester
- PROPYL-CROTONATE
- Crotonic acid propyl ester
- Propyl 2-butenoate
- DTXSID901032958
- AI3-06127
- 10352-87-1
- Propylcrotonat
- NSC 406701
- Crotonic acid, propyl ester
- EINECS 233-768-2
- Propyl trans-crotonate
- ZHDCHCTZRODSEN-HWKANZROSA-N
- Propyl (2E)-2-butenoate #
- SCHEMBL182849
- 7726-60-5
- (E)-propyl but-2-enoate
- (E)-2-Butenoic acid propyl ester
- AKOS006240957
- propyl (E)-but-2-enoate
- 2-Butenoic acid, propyl ester
- SCHEMBL182848
- Propyl crotonate
- CHEMBL3273384
- Q10261809
-
- Inchi： 1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
- InChI Key： ZHDCHCTZRODSEN-HWKANZROSA-N
- SMILES： O(C(/C=C/C)=O)CCC
Computed Properties
- Exact Mass: 128.08400
- Monoisotopic Mass: 128.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 106
- 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: 26.3A^2
- XLogP3: 1.8
Experimental Properties
- Density: 0.907
- Boiling Point: 149.3°C at 760 mmHg
- Flash Point: 45.4°C
- Refractive Index: 1.427
- PSA: 26.30000
- LogP: 1.51570
2-Butenoic acid, propylester Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
-
Yi-Bin Ruan,Alexis Depauw,Isabelle Leray Org. Biomol. Chem., 2014,12, 4335-4341
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