Isopropyl citrate

CAS Registry Number®

39413-05-3

CAS Name

Isopropyl citrate

Molecular Formula

C6H8O7.xC3H8O

Cite 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 2024-10-06) (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

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