Basic information
- CAS
101853-00-3- Standard SMILES
CCCCOC(=O)C(CC)(CC)C(=O)OCCCC- InChIKey
RTPCQAKIYNLFPG-UHFFFAOYSA-N- Molecular formula
- C15H28O4
- Average molar mass
- 272.38 g/mol
- Monoisotopic mass
- 272.19875937
Names & identifiers
- Preferred name
- Dibutyl diethylmalonate
- IUPAC
- dibutyl 2,2-diethylpropanedioate
- English name
- Dibutyl diethylmalonate
- Molecular formula
- C15H28O4
- Molecular weight
- 272.38
Names & synonyms
101853-00-3dibutyl diethylmalonateRefChem:586515654-893-2Dibutyl 2,2-diethylmalonateNSC166294SCHEMBL6048843AKOS024332578NSC-166294Propanedioic acid, 2,2-diethyl-, 1,3-dibutyl ester
Database identifiers
- CAS
101853-00-3- PubChem CID
- 296286
- EC Number
- 654-893-2
- Nikkaji
- J2.485.223G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 143 · 143-146 °C(Press: 12 Torr)
- Density
- 0.961 · 0.961±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Hazard statements
- 411 · H411
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
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, 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 CategoriesAquatic Chronic 2 (100%)
Safety data
- Symbol(GHS)
- GHS09
- Hazard statements
- H411
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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