Basic information
- CAS
14744-26-4- Standard SMILES
CC1(C)OC(C)(C)C(=O)CC1=O- InChIKey
LLFBKOTXULFGLF-UHFFFAOYSA-N- Molecular formula
- C9H14O3
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.09429431
Names & identifiers
- Preferred name
- 2,2,6,6-Tetramethyloxane-3,5-dione
- IUPAC
- 2,2,6,6-tetramethyloxane-3,5-dione
- English name
- 2H-Pyran-3,5(4H,6H)-dione, 2,2,6,6-tetramethyl-
- Molecular formula
- C9H14O3
- Molecular weight
- 170.21
Names & synonyms
14744-26-42,2,6,6-Tetramethyloxane-3,5-dione2,2,6,6-Tetramethyl-2H-pyran-3,5(4H,6H)-dione2H-Pyran-3,5(4H,6H)-dione, 2,2,6,6-tetramethyl-2,2,6,6-tetramethyl-pyran-3,5-dioneSCHEMBL403219DTXSID00601218LLFBKOTXULFGLF-UHFFFAOYSA-NPAA744262,2,6,6-tetramethylpyran-3,5-dioneCS-03757002,2,6,6-tetramethyltetrahydropyran-3,5-dione
Show more names
EN300-722273
Database identifiers
- CAS
14744-26-4- PubChem CID
- 19909275
- DTXSID
DTXSID00601218- EC Number
- 155-200-1
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 158 · 158-158.5 °C
- Boiling point
- 259.7 · 259.7±30.0 °C(Predicted)
- Density
- 1.017 · 1.017±0.06 g/cm3(Predicted)
- pka
- 9.38 · 9.38±0.60(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
21 records
Compound notes
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