Cas no 6683-94-9 (1-Phenyl-2-heptanone)
1-Phenyl-2-heptanone structure
Product Name:1-Phenyl-2-heptanone
CAS No:6683-94-9
MF:C13H18O
MW:190.281424045563
CID:46948
PubChem ID:11344503
Update Time:2025-04-18
1-Phenyl-2-heptanone Chemical and Physical Properties
Names and Identifiers
-
- 1-Phenyl-2-heptanone
- 1-phenylheptan-2-one
- 1-Phenyl-2-heptanon
- 2-Heptanone, 1-phenyl-
- AGN-PC-0077VV
- Benzyl-pentylketon
- Benzyl-pentyl-keton
- CTK2F1725
- KB-160323
- n-Pentyl-benzylketon
- SureCN1538099
- 6683-94-9
- SCHEMBL1538099
- DTXSID80462960
- TVCMOCBSBAVAJX-UHFFFAOYSA-N
- benzyl pentyl ketone
-
- Inchi： 1S/C13H18O/c1-2-3-5-10-13(14)11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3
- InChI Key： TVCMOCBSBAVAJX-UHFFFAOYSA-N
- SMILES： O=C(CC1C=CC=CC=1)CCCCC
Computed Properties
- Exact Mass: 190.13584
- Monoisotopic Mass: 190.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 157
- 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: 3.5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 0.942
- PSA: 17.07
1-Phenyl-2-heptanone Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
6683-94-9 (1-Phenyl-2-heptanone) Related Products
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- 2096-86-8(4-Methylphenylacetone)
- 18328-11-5(4-Phenylbutanal)
- 29898-25-7(1-Phenyl-3-hexanone)
- 20795-51-1(1-Phenylpentan-3-one)
- 6683-92-7(1-Phenyl-2-pentanone)
- 5349-62-2(4-Methyl-1-phenyl-2-pentanone)
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