Basic information
- CAS
68692-80-8- Standard SMILES
CCOC(=O)C(CC)(C(=O)OCC)c1ccc(C)cc1- InChIKey
WOSXEDMIPFISAA-UHFFFAOYSA-N- Molecular formula
- C16H22O4
- Average molar mass
- 278.34 g/mol
- Monoisotopic mass
- 278.15180918
Names & identifiers
- Preferred name
- Diethyl 2-ethyl-2-(p-tolyl)malonate
- IUPAC
- diethyl 2-ethyl-2-(4-methylphenyl)propanedioate
- English name
- Diethyl 2-ethyl-2-(p-tolyl)malonate
- Molecular formula
- C16H22O4
- Molecular weight
- 278.34
Names & synonyms
Diethyl 2-ethyl-2-(p-tolyl)malonate68692-80-8diethyl 2-ethyl-2-(4-methylphenyl)propanedioateEINECS 272-082-8SCHEMBL7996647DTXSID10988385WOSXEDMIPFISAA-UHFFFAOYSA-NAKOS024306964Diethyl ethyl(4-methylphenyl)propanedioateDB-055178NS00062200ST50307784
Show more names
Diethyl 2-ethyl-2-(p-tolyl)malonate,99%Diethyl 2-ethyl-2-(p-tolyl)malonate,97%2-ethyl-2-(2-methylphenyl)propanedioic acid diethyl ester2-Ethyl-2-(4-methylphenyl)propanedioic acid diethyl esterPropanedioic acid, 2-ethyl-2-(4-methylphenyl)-, 1,3-diethyl ester
diethyl 2-ethyl-2-(4-methylphenyl)propane-1,3-dioateInChI=1/C16H22O4/c1-5-16(14(17)19-6-2,15(18)20-7-3)13-10-8-12(4)9-11-13/h8-11H,5-7H2,1-4H
Database identifiers
- CAS
68692-80-8- PubChem CID
- 2724045
- DTXSID
DTXSID10988385- EC Number
- 272-082-8
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 116 · 116-117 °C (0.5 mmHg)
- Density
- 1.04 · 1.04
- refractive index
- 1.4915 · 1.4915-1.4935
- Safety Statements
- 24 · 24/25
- HS Code
- 29173995 · 29173995
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
- hs_code
- 29173995
- safety_code
- 24/25
Chemistry & industry
Suppliers2 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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