2,2,6,6-Tetramethylheptane-3,5-dione;ZINC
Basic information
- CAS
14363-14-5- Standard SMILES
CC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(C)(C)C.[Zn]- InChIKey
QWDQAWFEDOIHGD-ORWWTJHYSA-L- Molecular formula
- C22H40O4Zn
- Average molar mass
- 433.9 g/mol
- Monoisotopic mass
- 432.221802
Names & identifiers
- Preferred name
- 2,2,6,6-Tetramethylheptane-3,5-dione;ZINC
- IUPAC
- bis(2,2,6,6-tetramethylheptane-3,5-dione);zinc
- English name
- Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)zinc
- Molecular formula
- C22H38O4Zn
- Molecular weight
- 431.92
Names & synonyms
2,2,6,6-tetramethylheptane-3,5-dione;zincNSC174890NSC-174890Zinc,2,6,6-tetramethyl-3,5-heptanedionato)-zinc-2,2,6,6-tetramethyl-3,5-heptanedionateZinc,2,6,6-tetramethyl-3,5-heptanedionato-O,O')-, (T-4)-ZN(TMHD)2[Zinc(II) thd]Zinc di(pivaloylmethane)-3,5-heptanedionato)zinc(II)Zinc tetramethylheptanedionatoZINC 2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATE
Show more names
Zinc 2,2,6,6-tetramethyl-3,5-heptanedionatoZinc(II) 2,2,6,6-Tetramethyl-3,5-HeptanedionateZinc(II) 2,2,6,6-tetramethylheptane-3,5-dionate
Database identifiers
- CAS
14363-14-5- PubChem CID
- 425548
Properties
Computed structural properties
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- Melting point
- 132 · 132-134 °C(lit.)
- Boiling point
- 250 °C · 250°C
- Flash point
- 250 °C · 250°C
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- form
- crystal
- color
- white
- Hydrolytic Sensitivity
- 4 · 4: no reaction with water under neutral conditions
- InChI
- 1S/2C11H20O2.Zn/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;/q;;+2/p-2/b2*8-7+;
- InChIKey
- QWDQAWFEDOIHGD-ORWWTJHYSA-L
- SMILES
- CC(C)(C)C(=O)\C=C(\O[Zn]O\C(=C\C(=O)C(C)(C)C)C(C)(C)C)C(C)(C)C
- UNSPSC Code
- 12352300 · 12352300
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- No
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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