Zinc dipyroglutamate
Basic information
- CAS
15454-75-8- Standard SMILES
O=C1CCC(C(=O)[O-])N1.O=C1CCC(C(=O)[O-])N1.[Zn+2]- InChIKey
OWVLYQRCCIEOPF-UHFFFAOYSA-L- Molecular formula
- C10H12N2O6Zn
- Average molar mass
- 321.6 g/mol
- Monoisotopic mass
- 319.998678
Overview
See also: (T-4)-Bis(5-oxoprolinato-kappaN1,kappaO2)zinc (preferred).
Names & identifiers
- Preferred name
- Zinc dipyroglutamate
- IUPAC
- zinc bis(5-oxopyrrolidine-2-carboxylate)
- English name
- bis(5-oxo-L-prolinato-N1,O2)zinc
- Molecular formula
- C10H12N2O6Zn
- Molecular weight
- 321.61
Names & synonyms
Zinc dipyroglutamateSCHEMBL238737Zinc pyroglutamate (Zinc PCA)bis(5-oxo-L-prolinato-N1,02)zincF71279Zinc,bis(5-oxo-L-prolinato-kN1,kO2)-, (T-4)-PCA-ZNZine PCAZINCIDONEZinc PyrrolidoneZinc Pyrrolidone Carboxylic AcidO2)zinc
Show more names
PCAzincEinecs 239-473-5PCA-ZN (ZINCIDONE)
Database identifiers
- CAS
15454-75-8、68107-75-5- PubChem CID
- 85848
Properties
Computed structural properties
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Density
- 1.617 · 1.617[at 20℃]
- vapor pressure
- 4.75 hPa · 4.75hPa at 20℃
- Water Solubility
- 94 g/L · 94g/L at 20℃
- Cosmetics Ingredients Functions
- HUMECTANTSKIN CONDITIONING
- InChI
- InChI=1/2C5H7NO3.Zn/c2*7-4-2-1-3(6-4)5(8)9;/h2*3H,1-2H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*3-;/s3
- InChIKey
- OWVLYQRCCIEOPF-OFRCQBLNNA-L
- SMILES
- [Zn+2].C([O-])(=O)[C@@H]1CCC(N1)=O.C([O-])(=O)[C@@H]1CCC(N1)=O |&1:4,13,r|
- LogP
- 1 at · 1 at 25℃
- FDA UNII
- 32 PQ86DH4 · C32PQ86DH4
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- RIDADR
- 1759 · UN1759
- HazardClass
- 8 · 8
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- UN1759
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- Hazard statements
- H318
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
UsesZinc pyroglutamic acid can be used to prepare a foliar fertilizer containing L-pyroglutamic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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