Cas no 101493-87-2 (1-Octanone, 1-(2,5-dimethylphenyl)-)
101493-87-2 structure
Product Name:1-Octanone, 1-(2,5-dimethylphenyl)-
CAS No:101493-87-2
MF:C16H24O
MW:232.361165046692
CID:1132069
PubChem ID:13619446
Update Time:2025-04-20
1-Octanone, 1-(2,5-dimethylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Octanone, 1-(2,5-dimethylphenyl)-
- 1-(2,5-dimethylphenyl)octan-1-one
- 2,5-Dimethylphenylheptylketon
- 1-(2,5-Dimethyl-phenyl)-octan-1-one
- DTXSID90545177
- 101493-87-2
-
- Inchi： 1S/C16H24O/c1-4-5-6-7-8-9-16(17)15-12-13(2)10-11-14(15)3/h10-12H,4-9H2,1-3H3
- InChI Key： YRZAXHOEVLZSGV-UHFFFAOYSA-N
- SMILES： O=C(C1C=C(C)C=CC=1C)CCCCCCC
Computed Properties
- Exact Mass: 232.18282
- Monoisotopic Mass: 232.182715385g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 222
- 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
- XLogP3: 5.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1-Octanone, 1-(2,5-dimethylphenyl)- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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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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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
101493-87-2 (1-Octanone, 1-(2,5-dimethylphenyl)-) Related Products
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