Cas no 76649-24-6 (1-Pentanone,1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-)
76649-24-6 structure
Product Name:1-Pentanone,1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CAS No:76649-24-6
MF:C14H24O
MW:208.339764595032
CID:568003
PubChem ID:173536
Update Time:2025-04-19
1-Pentanone,1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentanone,1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
- 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)pentan-1-one
- 1-(2,6,6-trimethylcyclohexen-1-yl)pentan-1-one
- (2,6,6-Trimethyl-2-cyclohexenyl)-1-pentanone
- 1-(2,6,6-trimethylcyclohex-1-en-1-yl)pentan-1-one
- Pseudo-damascone
- 4X6Y5K9L6U
- 76649-24-6
- 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-pentanone
- 1-Pentanone, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
- NS00037824
- EINECS 278-517-8
- DTXSID1072842
-
- Inchi： 1S/C14H24O/c1-5-6-9-12(15)13-11(2)8-7-10-14(13,3)4/h5-10H2,1-4H3
- InChI Key： HEMHFUODSZBALC-UHFFFAOYSA-N
- SMILES： O=C(CCCC)C1=C(C)CCCC1(C)C
Computed Properties
- Exact Mass: 208.182715
- Monoisotopic Mass: 208.182715
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 271
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1
- XLogP3: 4
Experimental Properties
- Density: 0.886
- Boiling Point: 289.3°C at 760 mmHg
- Flash Point: 116.6°C
- Refractive Index: 1.46
1-Pentanone,1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
76649-24-6 (1-Pentanone,1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-) Related Products
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