Cas no 61780-85-6 (2-Pentanone, 3-(phenylmethyl)-)
61780-85-6 structure
Product Name:2-Pentanone, 3-(phenylmethyl)-
CAS No:61780-85-6
MF:C12H16O
MW:176.254843711853
CID:466394
PubChem ID:15643662
Update Time:2025-04-19
2-Pentanone, 3-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone, 3-(phenylmethyl)-
- 3-benzylpentan-2-one
- DTXSID00576210
- AKOS010228258
- 61780-85-6
- SCHEMBL11634382
-
- Inchi： 1S/C12H16O/c1-3-12(10(2)13)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3
- InChI Key： ZOEPLCFBQKQFDO-UHFFFAOYSA-N
- SMILES： O=C(C)C(CC)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 176.12018
- Monoisotopic Mass: 176.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 157
- 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: 2.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Pentanone, 3-(phenylmethyl)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
61780-85-6 (2-Pentanone, 3-(phenylmethyl)-) Related Products
- 5910-25-8(3-Phenyl-2,4-pentanedione)
- 946-33-8(2-Benzylcyclohexan-1-one)
- 3506-88-5(3-Benzyl-4-phenylbutan-2-one)
- 1444-65-1(2-phenylcyclohexan-1-one)
- 2550-27-8(3-Methyl-4-phenylbutan-2-one)
- 1134-87-8(3-Benzyl-2,4-pentanedione)
- 38861-78-8(4-Isobutylacetophenone)
- 40463-09-0(4-Methyl-1-phenylpentan-3-one)
- 2893-05-2(1-Phenyl-3-methyl-2-butanone)
- 5349-62-2(4-Methyl-1-phenyl-2-pentanone)
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