| SpectraBase Spectrum ID |
U2K7ZPQJlO |
| Name |
Propylene glycol diacetate |
| CAS Registry Number |
623-84-7 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
160.073558862 u |
| Formula |
C7H12O4 |
| InChI |
InChI=1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3 |
| InChIKey |
MLHOXUWWKVQEJB-UHFFFAOYSA-N |
| Molecular Weight |
160.169 g/mol |
| Number of Peaks |
50 |
| RI1 |
1021 |
| RI2 |
693 |
| RI3 |
919 |
| RI4 |
876 |
| SMILES |
CC(COC(C)=O)OC(C)=O |
| SPLASH |
splash10-0006-9000000000-82f60daae27c53ada9cf |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
1,2-Propanediol, 1,2-diacetate |
| Wiley ID |
LM_FFNSC3_1998 |
