Cas no 92369-26-1 (2-Propenoic acid,3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, ethyl ester)
92369-26-1 structure
Product Name:2-Propenoic acid,3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, ethyl ester
CAS No:92369-26-1
MF:C14H22O2
MW:222.323284626007
CID:806985
PubChem ID:6366199
Update Time:2025-04-19
2-Propenoic acid,3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, ethyl ester
- ethyl 3-(2,6,6-trimethylcyclohex-1-en-1-yl)acrylate
- ethyl 3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoate
- 92369-26-1
- EINECS 296-230-6
- (E)-ethyl 3-(2,6,6-trimethylcyclohex-1-enyl)acrylate
- SCHEMBL1761106
- NS00065389
- SCHEMBL1761108
- SGHXYRRAFDSHBV-CMDGGOBGSA-N
-
- Inchi： 1S/C14H22O2/c1-5-16-13(15)9-8-12-11(2)7-6-10-14(12,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+
- InChI Key： SGHXYRRAFDSHBV-CMDGGOBGSA-N
- SMILES： O(CC)C(/C=C/C1=C(C)CCCC1(C)C)=O
Computed Properties
- Exact Mass: 222.16198
- Monoisotopic Mass: 222.16198
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 322
- 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: 3.4
Experimental Properties
- Density: 0.981
- Boiling Point: 294.1°Cat760mmHg
- Flash Point: 138.5°C
- Refractive Index: 1.512
2-Propenoic acid,3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, ethyl ester Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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