Cas no 647008-31-9 (1-Hexanone, 1-[2-(acetyloxy)-4-methoxy-3-methylphenyl]-)
![1-Hexanone, 1-[2-(acetyloxy)-4-methoxy-3-methylphenyl]- structure](https://ossimg.kuujia.com/scimg/647500/647008-31-9x500.png)
647008-31-9 structure
Product Name:1-Hexanone, 1-[2-(acetyloxy)-4-methoxy-3-methylphenyl]-
CAS No:647008-31-9
MF:C16H22O4
MW:278.343485355377
CID:418832
PubChem ID:71379113
Update Time:2025-04-19
1-Hexanone, 1-[2-(acetyloxy)-4-methoxy-3-methylphenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexanone, 1-[2-(acetyloxy)-4-methoxy-3-methylphenyl]-
- (6-hexanoyl-3-methoxy-2-methylphenyl) acetate
- 647008-31-9
- 6-HEXANOYL-3-METHOXY-2-METHYLPHENYL ACETATE
- DTXSID50801701
-
- Inchi： 1S/C16H22O4/c1-5-6-7-8-14(18)13-9-10-15(19-4)11(2)16(13)20-12(3)17/h9-10H,5-8H2,1-4H3
- InChI Key： OUKJDKWUAICCSQ-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C(C)=C(C=CC=1C(CCCCC)=O)OC
Computed Properties
- Exact Mass: 278.15186
- Monoisotopic Mass: 278.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 8
- Complexity: 326
- 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: 3.6
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
1-Hexanone, 1-[2-(acetyloxy)-4-methoxy-3-methylphenyl]- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
647008-31-9 (1-Hexanone, 1-[2-(acetyloxy)-4-methoxy-3-methylphenyl]-) Related Products
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