Cas no 30434-54-9 (2-Butenoic acid,3-methyl-, 2-methylpropyl ester)
30434-54-9 structure
Product Name:2-Butenoic acid,3-methyl-, 2-methylpropyl ester
CAS No:30434-54-9
MF:C9H16O2
MW:156.222143173218
CID:310488
PubChem ID:121709
Update Time:2025-04-19
2-Butenoic acid,3-methyl-, 2-methylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid,3-methyl-, 2-methylpropyl ester
- 2-methylpropyl 3-methylbut-2-enoate
- ETHYL 4-HEPTENOATE
- 3-Methyl-2-butenoic acid, 2-methylpropyl ester
- isobutyl 3-methyl-2-butenoate
- SCHEMBL12258071
- 30434-54-9
- EINECS 250-197-4
- OORIYKITSHAVJG-UHFFFAOYSA-N
- AI3-33687
- DTXSID80184519
- NS00028925
- Isobutyl 3-methyl-2-butenoate #
- 2-Butenoic acid, 3-methyl-, 2-methylpropyl ester
-
- Inchi： 1S/C9H16O2/c1-7(2)5-9(10)11-6-8(3)4/h5,8H,6H2,1-4H3
- InChI Key： OORIYKITSHAVJG-UHFFFAOYSA-N
- SMILES： O(C(/C=C(\C)/C)=O)CC(C)C
Computed Properties
- Exact Mass: 156.11508
- Monoisotopic Mass: 156.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 153
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 2.9
Experimental Properties
- Density: 0.895
- Boiling Point: 187.8°Cat760mmHg
- Flash Point: 65.5°C
- Refractive Index: 1.433
- PSA: 26.3
2-Butenoic acid,3-methyl-, 2-methylpropyl ester Related Literature
-
Ljubo? U?jak,Silvana Petrovi?,Milica Drobac,Marina Sokovi?,Tatjana Stanojkovi?,Ana ?iri?,Marjan Niketi? Food Funct. 2017 8 278
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