Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Inventory

EC number:
208-901-2
EC name:
Trizinc dicitrate
CAS number:
546-46-3
CAS number:
546-46-3
Synonyms
Names:
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, zinc salt (2:3)
Citric acid, zinc salt (2:3)
Identifier:
CAS number
5990-32-9
Identifier:
IUPAC name
Citric acid, zinc salt
Identifier:
IUPAC name
Trizinc 2-hydroxypropane-1,2,3-tricarboxylate
Identifier:
IUPAC name
Trizinc dicitrate
Identifier:
IUPAC name
trizinc(2+) ion bis(2-hydroxypropane-1,2,3-tricarboxylate)
Identifier:
other: names
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, zinc salt (2:3) Citric acid, zinc salt (2:3) trizinc dicitrate
Identifier:
other: SMILES notation
C(CC([O-])=O)(C([O-])=O)(CC([O-])=O)O.[Zn+2].C(CC([O-])=O)(C([O-])=O)(CC([O-])=O)O.[Zn+2].[Zn+2]
Identifier:
other: InChl
1S/2C6H8O7.3Zn/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6
Identifier:
other: SMILES notation
C(CC([O-])=O)(C([O-])=O)(CC([O-])=O)O.[Zn+2].C(CC([O-])=O)(C([O-])=O)(CC([O-])=O)O.[Zn+2].[Zn+2]
Identifier:
other: Molecular formula
C6H5O7.3/2Zn
Identifier:
other: InChl
InChI=1/2C6H8O7.3Zn/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6 AuxInfo=1/1/N:2,4,6,9,3,1,10,11,12,13,7,8,5;16,18,20,23,17,15,24,25,26,27,21,22,19;14;28;29/E:2*(1,2)(3,4)(7,8,9,10)(11,12);;;/gE:2*(1,2);;;/rA:29nCCCCOCO-OCO-OO-OZn+2CCCCOCO-OCO-OO-OZn+2Zn+2/rB:s1;s1;s1;s1;s2;s3;d3;s4;s6;d6;s9;d9;;;s15;s15;s15;s15;s16;s17;d17;s18;s20;d20;s23;d23;;;/rC:.7976,-2.1388,0;.248,-1.303,0;1.9237,-2.2331,0;-.0633,-2.6176,0;1.1462,-3.2322,0;.6147,-.3726,0;2.5687,-1.51,0;2.3824,-3.1643,0;-.9577,-2.1552,0;1.5993,-.1974,0;-.0347,.4059,0;-.9078,-1.0901,0;-2.0232,-2.369,0;5.0292,-1.4958,0;.7976,-2.1388,0;.248,-1.303,0;1.9237,-2.2331,0;-.0633,-2.6176,0;1.1462,-3.2322,0;.6147,-.3726,0;2.5687,-1.51,0;2.3824,-3.1643,0;-.9577,-2.1552,0;1.5993,-.1974,0;-.0347,.4059,0;-.9078,-1.0901,0;-2.0232,-2.369,0;5.0292,-1.4958,0;5.0292,-1.4958,0;
Identifier:
other: Molecular formula
Zn3 (C6H5O7)2 . 2H2 O
trizinc dicitrate

Molecular and structural information

Molecular formula:
C6H8O7.3/2Zn
Molecular weight:
574.426
SMILES notation:
[Zn+2].[Zn+2].[Zn+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
InChl:
InChI=1/2C6H8O7.3Zn/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6
Structural formula:
Chemical structure

Related substances