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Basic information
- CAS
2415-85-2- Standard SMILES
CC(=O)CC(=O)Nc1ccc(C)cc1- InChIKey
MJGLMEMIYDUEHA-UHFFFAOYSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- p-Methylacetoacetanilide
- IUPAC
- N-(4-methylphenyl)-3-oxobutanamide
- English name
- N-(4-Methylphenyl)-3-oxobutanamide
- Molecular formula
- C11H13NO2
- Molecular weight
- 191.23
Names & synonyms
2415-85-2N-(4-Methylphenyl)-3-oxobutanamideButanamide, N-(4-methylphenyl)-3-oxo-Acetoacet-p-toluididep-Methylacetoacetanilidep-Acetoacetotoluidide4'-MethylacetoacetanilideN-Acetoacetyl-p-toluidine4-Methylacetoacetanilide4-AcetoacetylaminotolueneACETOACETIC ACID P-TOLUIDIDENSC 50631
Show more names
AAPTAKOS B029143AURORA KA-3343N-(4-Methylphenyl)-3ACETOACET-P-TOLUIDINEAcetoAcet-P-ToluilideAcetoacetyl-p-toluidineAcetoacetic p-toluidideAcetoacet-para-toluidine
CCRIS 7751EINECS 219-327-7NSC-50631DTXSID5062394G147166Y69ACETOACETYL-P-TOLUIDINE, N-N-(4-METHYLPHENYL)ACETYLACETAMIDEN-(P-METHYLPHENYL)-2-ACETYLACETAMIDE
Database identifiers
- CAS
2415-85-2- PubChem CID
- 17015
- DTXSID
DTXSID5062394- UNII
- G147166Y69
- EC Number
- 219-327-7
- Nikkaji
- J7.885I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 95 °C · 95°C
- Boiling point
- 376 · 376.0±25.0 °C(Predicted)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 11.32 · 11.32±0.46(Predicted)
- color
- White to Almost white
- CAS DataBase Reference
- 2415 · 2415-85-2(CAS DataBase Reference)
- FDA UNII
- 147166 Y69 · G147166Y69
- EPA Substance Registry System
- Butanamide, N-(4-methylphenyl)-3-oxo- (2415-85-2)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310+P330-P405-P501
- Risk Statements
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
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 2924297099
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310+P330-P405-P501
Chemistry & industry
Applications
UsesN-(4-Methylphenyl)-3-oxobutanamide is an intermediate for dyes and organic pigments, and can be used as a coupling component in the synthesis of pigments such as CI Pigment Yellow 55 and Pigment Orange 63.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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