Ethyl 4-(3,5-dimethylphenyl)-4-oxobutanoate | CAS No. 898751-69-4

Basic Information

Ethyl 4-(3,5-dimethylphenyl)-4-oxobutanoate

CAS Number

898751-69-4

Molecular Formula

C14H18O3

Molecular Weight

234.29 g/mol

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Basic Physical Properties

Boiling Point

361.9°C at 760 mmHg

Density

1.05

Flash Point

158.8°C

Refractive Index

1.505

SMILES

CCOC(=O)CCC(=O)C1=CC(=CC(=C1)C)C

InChI

InChI=1S/C14H18O3/c1-4-17-14(16)6-5-13(15)12-8-10(2)7-11(3)9-12/h7-9H,4-6H2,1-3H3

InChIKey

YRMNAZDTNBMZSG-UHFFFAOYSA-N

LogP

2.829440000000001

Topological Polar Surface Area

43.370000000000005 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

263

Classification & Uses

Safety Information

Synonyms & References

English

  • ethyl 4-(3,5-dimethylphenyl)-4-oxobutanoate
  • SCHEMBL4315127
  • YRMNAZDTNBMZSG-UHFFFAOYSA-N
  • MFCD01320223
  • DTXSID40645555
  • ETHYL 4-(3,5-DIMETHYLPHENYL)-4-OXOBUTYRATE
  • ethyl-4-(3,5-dimethylphenyl)-4-oxobutyrate
  • 898751-69-4
  • ETHYL4-(3,5-DIMETHYLPHENYL)-4-OXOBUTYRATE
  • AKOS010916379

MDL_Number

MFCD01320223

CAS Number

898751-69-4

Customs_Code

2918300090

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