Isopropyl citrate
CAS Registry Number®
39413-05-3
CAS Name
Isopropyl citrateMolecular Formula
C6H8O7.xC3H8OCite this Page
Isopropyl citrate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=39413-05-3 (retrieved ) (CAS RN: 39413-05-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C6H8O7.C3H8O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-3(2)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-4H,1-2H3
InChIKey
InChIKey=KXVQHPCFHYDLRQ-UHFFFAOYSA-N
SMILES
C(CC(O)=O)(CC(O)=O)(C(O)=O)O.C(C)(C)O
Canonical SMILES
O=C(O)CC(O)(C(=O)O)CC(=O)O.OC(C)C
Other Names for this Substance
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-methylethyl ester
- Isopropyl citrate