Tetramethylene-2,2'-bis(1,3-cyclotetradecanedione)
Basic information
- CAS
5009-06-3- Standard SMILES
O=C1CCCCCCCCCCCC(=O)C1CCCCC1C(=O)CCCCCCCCCCCC1=O- InChIKey
DVMLLSBJCUWUSL-UHFFFAOYSA-N- Molecular formula
- C32H54O4
- Average molar mass
- 502.8 g/mol
- Monoisotopic mass
- 502.4022102
Names & identifiers
- Preferred name
- Tetramethylene-2,2'-bis(1,3-cyclotetradecanedione)
- IUPAC
- 2-[4-(2,14-dioxocyclotetradecyl)butyl]cyclotetradecane-1,3-dione
- English name
- 2-[4-(2,14-dioxocyclotetradecyl)butyl]cyclotetradecane-1,3-dione
- Molecular formula
- C32H54O4
- Molecular weight
- 502.76876
Names & synonyms
TETRAMETHYLENE-2,2'-BIS(1,3-CYCLOTETRADECANEDIONE)RefChem:8973505009-06-3661-035-0AKOS0244341412-[4-(2,14-dioxocyclotetradecyl)butyl]cyclotetradecane-1,3-dione
Database identifiers
- CAS
5009-06-3- PubChem CID
- 4166254
- EC Number
- 661-035-0
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 549
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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