1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one
Basic information
- CAS
103-13-9- Standard SMILES
COc1ccc(C=CC(=O)C(C)C)cc1- InChIKey
ZIXVMEYRFPMOAV-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one
- IUPAC
- 1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
- English name
- 1-Penten-3-one, 1-(4-methoxyphenyl)-4-methyl-
- Molecular formula
- C13H16O2
- Molecular weight
- 204.27
Names & synonyms
1-(4-Methoxyphenyl)-4-methylpent-1-en-3-oneRefChem:425769SCHEMBL10843273ZIXVMEYRFPMOAV-UHFFFAOYSA-Nalpha,alpha-dimethyl anisyl acetoneP-METHOXYSTYRYL ISOPROPYL KETONENCI60_018084DB-2683761-(4-METHOXYPHENYL)-4-METHYL-1-PENTEN-3-ONE*Fensulfothion Impurity 13 (Parathion)1-Penten-3-one, 1-(4-methoxyphenyl)-4-methyl-
Database identifiers
- CAS
103-13-9- PubChem CID
- 61003
- DTXSID
DTXSID3059268
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 117 · 117-120 °C(Press: 0.2 Torr)
- Density
- 1.014 · 1.014±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- FLAVIS Number
- 7.049 · 07.049 | 1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one
- FEMA
- 3760 · 3760 | 1-(4-METHOXYPHENYL)-4-METHYL-1-PENTEN-3-ONE
- Odor
- 10 % · at 10.00 % in dipropylene glycol. caramel fruity buttery
- Odor Type
- caramellic
- JECFA Number
- 829 · 829
- LogP
- 3 · 3.00
- Substances Added to Food (formerly EAFUS)
- 1 · 1-(4-METHOXYPHENYL)-4-METHYL-1-PENTEN-3-ONE
- FDA UNII
- 2 Z3552U0OY · 2Z3552U0OY
- EPA Substance Registry System
- 1 · 1-Penten-3-one, 1-(4-methoxyphenyl)-4-methyl- (103-13-9)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Applications
Descriptionl-(4-Methoxyphenyl)-4-methyl-l-penten-3-one has a caramel, fruity odor with a buttery topnote and a sweet taste with a fruity.
Preparation methods
PreparationBy condensing methyl isopropyl ketone with anisaldehyde in the presence of diluted alkali solution.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…