Cas no 519-40-4 (1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)butan-1-one)
519-40-4 structure
Product Name:1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)butan-1-one
CAS No:519-40-4
MF:C12H16O4
MW:224.253044128418
CID:1574824
PubChem ID:122841
Update Time:2025-04-21
1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)butan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)butan-1-one
- 1-(2,6-Dihydroxy-4-methoxy-3-methylphenyl)-1-butanon
- 1-(2,6-Dihydroxy-4-methoxy-3-methylphenyl)-1-butanone
- 1-(2,6-Dihydroxy-4-méthoxy-3-méthylphényl)-1-butanone
- 1-butanone, 1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-
- 2',6'-Dihydroxy-4'-methoxy-3'-methyl-1-butyrophenone
- 2',6'-Dihydroxy-4'-methoxy-3'-methylbutyrophenone
- 4-Butyryl-2-methylphloroglucinol 1-Methyl Ether
- 4-Butyryl-3,5-dihydroxy-1-methoxy-2-methylbenzene
- Butyrophenone, 2',6'-dihydroxy-4'-methoxy-3'-methyl-
- 2\',6\'-Dihydroxy-4\'-methoxy-3\'-methylbutyrophenone
- Butyrophenone,
- Q27105863
- CHEMBL214690
- Aspidinol B
- AC1L3VD6
- UNII-6BW75I6CNC
- 519-40-4
- 4-BUTYRYL-2-METHYLPHLOROGLUCINOL-1-METHYL ETHER
- BDBM50191688
- DTXSID70966225
- SCHEMBL154937
- AC1Q5D4W
- Aspidinol
- NS00094529
- ASPIDINOL [MI]
- GJRJTYFSORWKBE-UHFFFAOYSA-N
- aspidinol-B
- 6BW75I6CNC
- starbld0003668
- CHEBI:2884
- 1-(2,6-dihydroxy-4-methoxy-3-methyl-phenyl)butan-1-one
-
- Inchi： 1S/C12H16O4/c1-4-5-8(13)11-9(14)6-10(16-3)7(2)12(11)15/h6,14-15H,4-5H2,1-3H3
- InChI Key： GJRJTYFSORWKBE-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C(=C(C=1C)O)C(CCC)=O)O
Computed Properties
- Exact Mass: 224.10488
- Monoisotopic Mass: 224.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 241
- 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
- Topological Polar Surface Area: 66.8A^2
- XLogP3: 2.6
Experimental Properties
- Density: 1.173
- Melting Point: 156-161°; mp 116.5°
- Boiling Point: 380.5°C at 760 mmHg
- Flash Point: 144.8°C
- Refractive Index: 1.549
- PSA: 66.76
1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)butan-1-one Related Literature
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
519-40-4 (1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)butan-1-one) Related Products
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