Cas no 29790-29-2 (2-Cyclohexen-1-one,2,4,4-trimethyl-3-[(1E)-3-oxo-1-buten-1-yl]-)
![2-Cyclohexen-1-one,2,4,4-trimethyl-3-[(1E)-3-oxo-1-buten-1-yl]- structure](https://ossimg.kuujia.com/scimg/30000/29790-29-2x500.png)
29790-29-2 structure
Product Name:2-Cyclohexen-1-one,2,4,4-trimethyl-3-[(1E)-3-oxo-1-buten-1-yl]-
CAS No:29790-29-2
MF:C13H18O2
MW:206.280824184418
CID:255940
PubChem ID:5363876
Update Time:2025-04-19
2-Cyclohexen-1-one,2,4,4-trimethyl-3-[(1E)-3-oxo-1-buten-1-yl]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclohexen-1-one,2,4,4-trimethyl-3-[(1E)-3-oxo-1-buten-1-yl]-
- (E)-2,4,4-Trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one
- 4-keto-β
- 4-Oxo-β
- -ionone
- 27185-77-9
- 2,4,4-Trimethyl-3-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-one
- CHEBI:211741
- EINECS 248-307-0
- EINECS 249-851-1
- 2,4,4-Trimethyl-3-(3-oxo-1-butenyl)-2-cyclohexen-1-one
- (E)-3-oxo-beta-ionone
- 29790-29-2
- 2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
- 4-Oxo-beta-ionone
- 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-buten-1-yl)-
- DTXSID701017762
- SCHEMBL8390312
- 3-Keto-.beta.-ionone
- 2,4,4-trimethyl-3-[(E)-3-oxo-but-1-enyl]-cyclohex-2-en-1-one
- 2, 4, 4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
- 3-Oxo-.beta.-ionone
- 2,4,4-Trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one
- 3-Oxo-b-ionone
- 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-
- (E)-2,4,4-Trimethyl-3-(3-oxobut-1-en-1-yl)cyclohex-2-en-1-one
- 4-Oxo-b-ionone
- NS00085207
- Q67879619
-
- Inchi： 1S/C13H18O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6H,7-8H2,1-4H3/b6-5+
- InChI Key： OBHGOXFSRVNKBS-AATRIKPKSA-N
- SMILES： O=C1C(C)=C(/C=C/C(C)=O)C(C)(C)CC1
Computed Properties
- Exact Mass: 206.13074
- Monoisotopic Mass: 206.13068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 357
- 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: 34.1
- XLogP3: 1.8
Experimental Properties
- Density: 1.03
- Boiling Point: 323.4°Cat760mmHg
- Flash Point: 121.1°C
- PSA: 34.14
2-Cyclohexen-1-one,2,4,4-trimethyl-3-[(1E)-3-oxo-1-buten-1-yl]- Related Literature
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
29790-29-2 (2-Cyclohexen-1-one,2,4,4-trimethyl-3-[(1E)-3-oxo-1-buten-1-yl]-) Related Products
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