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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
2-hydroxypropane-1,2,3-tricarboxylic acid hydrate

Inventory

CAS number:
5949-29-1
Synonyms
Names:
Identifier:
EC name
CITRIC ACID MONOHYDRATE
Identifier:
EC number
691-328-9
Identifier:
IUPAC name
2-Hydroxypropane-1,2,3-tricarboxylic acid;hydrate
Identifier:
other: SMILES notation
O.C(CC(O)=O)(CC(O)=O)(C(O)=O)O
Identifier:
other: SMILES notation
C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O
Identifier:
other: Molecular formula
C6H8O7*H2O
Identifier:
other: InChl
YASYEJJMZJALEJ-UHFFFAOYSA-N

Molecular and structural information

Molecular formula:
6H10O8
Molecular weight:
210.14
SMILES notation:
OC(CC(C(O)=O)(O)CC(O)=O)=O.[H]O[H]
InChl:
InChI=1S/C6H8O7.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2
Structural formula:
Chemical structure

Related substances

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Identifier:
EC number
Identity:
201-069-1
Identifier:
CAS number
Identity:
77-92-9