Cas no 22319-31-9 (4-Hepten-3-one,4-methyl-)
4-Hepten-3-one,4-methyl- structure
Product Name:4-Hepten-3-one,4-methyl-
CAS No:22319-31-9
MF:C8H14O
MW:126.196162700653
CID:276677
Update Time:2025-04-19
4-Hepten-3-one,4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Hepten-3-one,4-methyl-
- (E)-4-methylhept-4-en-3-one
- (4E)-4-Methyl-4-hepten-3-one
- 4-METHYL-4-HEPTEN-3-ONE
-
- Inchi： 1S/C8H14O/c1-4-6-7(3)8(9)5-2/h6H,4-5H2,1-3H3/b7-6-
- InChI Key： BDBHRHLQMIKKIB-SREVYHEPSA-N
- SMILES： CC/C=C(\C(CC)=O)/C
Computed Properties
- Exact Mass: 126.10452
- Monoisotopic Mass: 126.104465
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 123
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1
Experimental Properties
- Density: 0.835
- Boiling Point: 179.3°Cat760mmHg
- Flash Point: 59.9°C
- Refractive Index: 1.43
- PSA: 17.07
4-Hepten-3-one,4-methyl- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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