Cas no 57934-98-2 (2-Buten-1-one,1-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-, (2E)-)
57934-98-2 structure
Product Name:2-Buten-1-one,1-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-, (2E)-
CAS No:57934-98-2
MF:C14H22O
MW:206.323884487152
CID:369505
PubChem ID:6436691
Update Time:2025-04-19
2-Buten-1-one,1-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-, (2E)- Chemical and Physical Properties
Names and Identifiers
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- 2-Buten-1-one,1-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-, (2E)-
- (E)-1-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-2-buten-1-one
- (E)-1-(2-ethyl-6,6-dimethylcyclohexen-1-yl)but-2-en-1-one
- (2E)-1-(2-ethyl-6,6-dimethylcyclohex-1-en-1-yl)but-2-en-1-one
- 2-Buten-1-one, 1-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-, (E)-
- 2-Buten-1-one, 1-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-, (2E)-
- DTXSID00886240
- EINECS 261-021-0
- 57934-98-2
- NS00054471
-
- Inchi： 1S/C14H22O/c1-5-8-12(15)13-11(6-2)9-7-10-14(13,3)4/h5,8H,6-7,9-10H2,1-4H3/b8-5+
- InChI Key： FKXJNDRRTCDTPL-VMPITWQZSA-N
- SMILES： O=C(/C=C/C)C1=C(CC)CCCC1(C)C
Computed Properties
- Exact Mass: 206.16716
- Monoisotopic Mass: 206.167065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 305
- 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: 17.1
- XLogP3: 3.9
Experimental Properties
- Density: 0.898
- Boiling Point: 289.2°Cat760mmHg
- Flash Point: 116.9°C
- Refractive Index: 1.473
- PSA: 17.07
2-Buten-1-one,1-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-, (2E)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
57934-98-2 (2-Buten-1-one,1-(2-ethyl-6,6-dimethyl-1-cyclohexen-1-yl)-, (2E)-) Related Products
- 2244-16-8((S)-(+)-Carvone)
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- 32388-55-9(Acetylcedrene (~80%))
- 3602-55-9(2-tert-Butyl-1,4-benzoquinone)
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- 6485-40-1((R)-(-)-Carvone)
- 473-08-5((+)-a-Cyperone)
- 2460-77-7(2,5-Di-tert-butyl-1,4-benzoquinone)
- 1125-21-9(Ketoisophorone)
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