Cas no 27993-42-6 (3-Methyl-1-phenylpentan-2-one)
3-Methyl-1-phenylpentan-2-one structure
Product Name:3-Methyl-1-phenylpentan-2-one
CAS No:27993-42-6
MF:C12H16O
MW:176.254843711853
CID:2839040
PubChem ID:13004937
Update Time:2025-04-21
3-Methyl-1-phenylpentan-2-one Chemical and Physical Properties
Names and Identifiers
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- DTXSID00514839
- DTXCID10465646
- 27993-42-6
- 3-Methyl-1-phenylpentan-2-one
- SCHEMBL7153908
-
- Inchi： 1S/C12H16O/c1-3-10(2)12(13)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
- InChI Key： IJTQSJQDJKSMPC-UHFFFAOYSA-N
- SMILES： O=C(CC1C=CC=CC=1)C(C)CC
Computed Properties
- Exact Mass: 176.120115130Da
- Monoisotopic Mass: 176.120115130Da
- 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: 2.9
- Topological Polar Surface Area: 17.1?2
3-Methyl-1-phenylpentan-2-one Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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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