Cas no 84518-22-9 (1-Cyclohexene-1-butanal,a,2,6,6-tetramethyl-)
84518-22-9 structure
Product Name:1-Cyclohexene-1-butanal,a,2,6,6-tetramethyl-
CAS No:84518-22-9
MF:C14H24O
MW:208.339764595032
CID:727486
PubChem ID:579157
Update Time:2025-04-19
1-Cyclohexene-1-butanal,a,2,6,6-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Cyclohexene-1-butanal,a,2,6,6-tetramethyl-
- alpha,2,6,6-tetramethylcyclohexene-1-butyraldehyde
- 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)butanal
- DTXSID50888214
- 1-CETONAL
- UNII-55RV8VAL82
- SCHEMBL454132
- .ALPHA.,2,6,6-TETRAMETHYL-1-CYCLOHEXENE-1-BUTANAL
- alpha,2,6,6-Tetramethyl-1-cyclohexene-1-butanal
- 55RV8VAL82
- Luciferin aldehyde (Latia)
- 1-Cyclohexene-1-butanal, .alpha.,2,6,6-tetramethyl-
- 84518-22-9
- 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butanal
- NS00061550
- Q27261337
- 1-Cyclohexene-1-butyraldehyde, .alpha.,2,6,6-tetramethyl-
- 1-CETONAL, (+/-)-
- 21632-06-4
- Cetonal
- 2-Methyl-4-(2,6,6-trimethylcyclohex-1-enyl)butanal
- 2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butanal #
- 2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)BUTANA
- EINECS 282-993-2
- 1-Cyclohexene-1-butanal, alpha,2,6,6-tetramethyl-
- 2-(3-FORMYL)BUTYL-1,3,3-TRIMETHYLCYCLOHEX-1-ENE
-
- Inchi： 1S/C14H24O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h10-11H,5-9H2,1-4H3
- InChI Key： MXNVWZZDDFIWHW-UHFFFAOYSA-N
- SMILES： O=CC(C)CCC1=C(C)CCCC1(C)C
Computed Properties
- Exact Mass: 208.183
- Monoisotopic Mass: 208.183
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 261
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 0.871
- Boiling Point: 281.7°C at 760 mmHg
- Flash Point: 126.8°C
- Refractive Index: 1.453
- PSA: 17.07000
- LogP: 4.12820
1-Cyclohexene-1-butanal,a,2,6,6-tetramethyl- Related Literature
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
84518-22-9 (1-Cyclohexene-1-butanal,a,2,6,6-tetramethyl-) Related Products
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