Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)calcium(II)
Basic information
- CAS
36818-89-0- Standard SMILES
CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.[Ca+2]- InChIKey
DOOFPPIHJGRIGW-ATMONBRVSA-L- Molecular formula
- C22H38CaO4
- Average molar mass
- 406.6 g/mol
- Monoisotopic mass
- 406.2396005
Overview
See also: Bis(2,2,6,6-tetramethylheptane-3,5-dionato)calcium (annotation moved to).
Names & identifiers
- Preferred name
- Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)calcium(II)
- IUPAC
- calcium bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
Names & synonyms
118448-18-3BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)CALCIUM(II)Calcium;(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate36818-89-0CALCIUM-DPMMFCD00064757Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)calciumC22H38CaO4SCHEMBL29482230Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)calcium [Ca(TMHD)2]calcium;(Z)-2,2,6,6-tetramethyl-5-oxo-hept-3-en-3-olate
Database identifiers
- CAS
36818-89-0- PubChem CID
- 6917035
- EC Number
- 695-406-3
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 199
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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