Cas no 61792-12-9 (cinnamyl tiglate)
cinnamyl tiglate structure
Product Name:cinnamyl tiglate
CAS No:61792-12-9
MF:C14H16O2
MW:216.275644302368
CID:955187
PubChem ID:5367766
Update Time:2025-04-19
cinnamyl tiglate Chemical and Physical Properties
Names and Identifiers
-
- cinnamyl tiglate
- [(E)-3-phenylprop-2-enyl] (E)-2-methylbut-2-enoate
- Cinnamyl 2-methylcrotonate
- EINECS 263-215-0
- EINECS 282-533-0
- KRNURAJANZKGQN-IBIBRXRCSA-N
- 2-Butenoic acid, 2-methyl-, 3-phenyl-2-propenyl ester, (E,E)-
- NS00012102
- trans-Cinnamyl tiglate
- (2E)-3-Phenyl-2-propenyl (2E)-2-methyl-2-butenoate
- 2-Butenoic acid, 2-methyl-, 3-phenyl-2-propenyl ester, (E,?)-
- 2-Butenoic acid, 2-methyl-, 3-phenyl-2-propen-1-yl ester, (2E)-
- (E)-Cinnamyl tiglate
- 2-Butenoic acid, 2-methyl-, 3-phenyl-2-propenyl ester, (2E)-
- 61792-12-9
- SCHEMBL873965
- SCHEMBL873963
- (E)-Cinnamyl 2-methylisocrotonate
- 84254-87-5
-
- Inchi： 1S/C14H16O2/c1-3-12(2)14(15)16-11-7-10-13-8-5-4-6-9-13/h3-10H,11H2,1-2H3/b10-7+,12-3+
- InChI Key： KRNURAJANZKGQN-IBIBRXRCSA-N
- SMILES： O(C(/C(=C/C)/C)=O)C/C=C/C1C=CC=CC=1
Computed Properties
- Exact Mass: 216.11500
- Monoisotopic Mass: 216.11503
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 271
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.5
Experimental Properties
- Color/Form: Colorless oily liquid.
- Density: 1.03
- Boiling Point: 340.5°C at 760 mmHg
- Flash Point: 198.2°C
- Refractive Index: 1.551
- PSA: 26.30000
- LogP: 3.20920
cinnamyl tiglate Related Literature
-
Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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