Ethyl 2,4-dioxo-4-(p-tolyl)butanoate
Basic information
- CAS
5814-37-9- Standard SMILES
CCOC(=O)C(=O)CC(=O)c1ccc(C)cc1- InChIKey
QQMYOPVSVNPECO-UHFFFAOYSA-N- Molecular formula
- C13H14O4
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.08920892
Names & identifiers
- Preferred name
- Ethyl 2,4-dioxo-4-(p-tolyl)butanoate
- IUPAC
- ethyl 4-(4-methylphenyl)-2,4-dioxobutanoate
- English name
- ethyl 2.4-dioxo-4-p-tolylbutanoate
- Molecular formula
- C13H14O4
- Molecular weight
- 234.25
Names & synonyms
Ethyl 2,4-dioxo-4-(p-tolyl)butanoate5814-37-9DTXSID70344201RefChem:342238DTXCID40295276Ethyl 4-(4-methylphenyl)-2,4-dioxobutanoateMFCD03411526ethyl 2.4-dioxo-4-p-tolylbutanoateEthyl 2,4-dioxo-4-p-tolylbutanoateEthyl2,4-dioxo-4-(p-tolyl)butanoateSCHEMBL2911004AKOS000210835
Show more names
Ethyl 2,4-dioxo-4-(p-tolyl)Ethyl 4-methyl-α,γ-dioxobenzenebutanoateEthyl 4-methyl-α,γ-dioxobenzenebutanoateBenzenebutanoic acid, 4-methyl-α,γ-dioxo-, ethyl esterBenzenebutanoic acid, 4-Methyl-.alpha.,.gaMMa.-dioxo-, ethyl ester
Ethyl 24-dioxo-4-(p-tolyl)butanoateEthyl 4-methyl-a,g-dioxo-benzenebutanoateethyl 4-(4-tolyl)-2,4-dioxobutanoateDA-34379DS-17463SY105719CS-01220572,4-Dioxo-4-p-tolyl-butyric acid ethyl ester
Database identifiers
- CAS
5814-37-9- PubChem CID
- 595052
- DTXSID
DTXSID70344201- Nikkaji
- J2.361.144I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H227
- Precautionary statements
- 501 · P501-P261-P270-P210-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312-P403+P235
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H227
- Precautionary statements
- P501-P261-P270-P210-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312-P403+P235
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
1 records
Compound notes
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