Basic information
- CAS
67828-19-7- Standard SMILES
COc1ccc(CC(C)C(C)=O)cc1- InChIKey
NWOQMCFVOCINBU-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 2-Butanone, 4-(4-methoxyphenyl)-3-methyl-
- IUPAC
- 4-(4-methoxyphenyl)-3-methylbutan-2-one
- English name
- 4-(4-methoxyphenyl)-3-methylbutan-2-one
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
67828-19-72-Butanone, 4-(4-methoxyphenyl)-3-methyl-3-Methyl-4-(4-methoxyphenyl)butan-2-one35866FP9BGEINECS 267-240-8NSC-299064-(4-methoxyphenyl)-3-methyl-2-butanoneDTXSID80867355NSC 29906RefChem:85936DTXCID70815547267-240-8
Show more names
3-(4-Methoxybenzyl)-2-butanone3-Methyl-4-(4-methoxyphenyl)-2-butanoneα-Methyl-4-methoxyphenethylmethyl ketone
4-(4-Methoxyphenyl)-3-methylbutan-2-oneNSC29906UNII-35866FP9BGSCHEMBL3832306NWOQMCFVOCINBU-UHFFFAOYSA-NAKOS014315636NS00012838
Database identifiers
- CAS
67828-19-7- PubChem CID
- 97708
- DTXSID
DTXSID80867355- UNII
- 35866FP9BG
- EC Number
- 267-240-8
- Nikkaji
- J317.203A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
FragrancesFragrance Ingredient (4-(4-Methoxyphenyl)-3-methylbutan-2-one) -> IFRA transparency List
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.205 · 2.205 (est)
- FDA UNII
- 35866 FP9BG · 35866FP9BG
- EPA Substance Registry System
- 2 · 2-Butanone, 4-(4-methoxyphenyl)-3-methyl- (67828-19-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (114 of 114) of all reports.
Not Classified
Aggregated GHS information provided per 114 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 2-Butanone, 4-(4-methoxyphenyl)-3-methyl-
Other Safety InformationIMAP assessments - 2-Butanone, 4-(4-methoxyphenyl)-3-methyl-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information2-Butanone, 4-(4-methoxyphenyl)-3-methyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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