Basic information
- CAS
84836-32-8- Standard SMILES
CCC(CC)C(=O)c1ccc(OC)cc1- InChIKey
CUSGBLIMZVLLIE-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067982
Names & identifiers
- Preferred name
- 2-Ethyl-1-(4-methoxyphenyl)butan-1-one
- IUPAC
- 2-ethyl-1-(4-methoxyphenyl)butan-1-one
- English name
- 2-ethyl-1-(4-methoxyphenyl)butan-1-one
- Molecular formula
- C13H18O2
- Molecular weight
- 206.28
Names & synonyms
84836-32-81-Butanone,2-ethyl-1-(4-methoxyphenyl)-2-ethyl-1-(4-methoxyphenyl)butan-1-onepara-methoxy-2-ethylbutyrophenoneNSC57535SCHEMBL7639644DTXSID60288766CUSGBLIMZVLLIE-UHFFFAOYSA-NNSC-57535DS-0027842-Ethyl-1-(4-methoxyphenyl)-1-butanone1-Butanone, 2-ethyl-1-(4-methoxyphenyl)-
Database identifiers
- CAS
84836-32-8- PubChem CID
- 245508
- DTXSID
DTXSID60288766- Nikkaji
- J1.145.810F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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