| SpectraBase Spectrum ID |
8R5GD8wpC2A |
| Name |
4-Hydroxy-4-methyl-2-pentanone |
| CAS Registry Number |
123-42-2 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C6H12O2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness) |
| GC Oven Program |
60 ??C to 246 ??C at 3 ??C/min. |
| InChI |
InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3 |
| InChIKey |
SWXVUIWOUIDPGS-UHFFFAOYSA-N |
| Molecular Weight |
116.160 g/mol |
| SMILES |
OC(CC(C)=O)(C)C |
| SPLASH |
splash10-0006-9000000000-979a4794e2458811e5d1 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Synonyms |
Pentanone<4-hydroxy-4-methyl-2-> |
| Wiley ID |
1887769 |
