Dehydroacetic acid
380
Reference
Dehydroacetic acid Structure
Systematic / IUPAC Name: 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione
ID: Reference380
Other Names:
3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one;
2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-methyl-
Formula: C8H8O4
Class: Personal Care Products/Cosmetics Excipients/Additives/Colorants Industrial Chemicals Pesticides/Herbicides
Spectral Data
Dehydroacetic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite; Q Exactive Orbitrap |
| No. of Spectral Trees | 3 |
| No. of Spectra | 327 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | ESI; APCI |
| Analyzers | FT |
| Last Modification | 1/12/2015 8:45:41 AM |
Identificators
| InChI | InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3 |
| InChI Key | PGRHXDWITVMQBC-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC(=O)C(C(=O)O1)C(=O)C |
| CAS | 520456 |
| Splash | |
| Other Names |
3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one; 2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-methyl- |