Benzaldehyde, 2,4-bis(1-methylethyl)-
Basic information
- CAS
68459-95-0- Standard SMILES
CC(C)c1ccc(C=O)c(C(C)C)c1- InChIKey
BKKSNSNLVYSDPD-UHFFFAOYSA-N- Molecular formula
- C13H18O
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.13576519
Names & identifiers
- Preferred name
- Benzaldehyde, 2,4-bis(1-methylethyl)-
- IUPAC
- 2,4-di(propan-2-yl)benzaldehyde
- English name
- 2,4-bis(isopropyl)benzaldehyde
- Molecular formula
- C13H18O
- Molecular weight
- 190.28142
Names & synonyms
2,4-DiisopropylbenzaldehydeBenzaldehyde, 2,4-bis(1-methylethyl)-68459-95-0EINECS 270-621-1DTXSID9071555RefChem:561315DTXCID50460152,4-Bis(isopropyl)benzaldehyde2,4-di(propan-2-yl)benzaldehyde2,4-diisopropyl benzaldehydeSCHEMBL6197624SCHEMBL7678208
Show more names
Diisopropylbenzaldehyde2,4-Bis(isopropyl)benzaldehyd2,4-Bis(1-methylethyl)benzaldehyde
BKKSNSNLVYSDPD-UHFFFAOYSA-NMFCD19596947NS00012259
Database identifiers
- CAS
68459-95-0- PubChem CID
- 110333
- DTXSID
DTXSID9071555- EC Number
- 270-621-1
- Nikkaji
- J261.927J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.813 · 3.813 (est)
- EPA Substance Registry System
- 2 · Benzaldehyde, 2,4-bis(1-methylethyl)- (68459-95-0)
- 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.
Hazard information
Regulatory InformationChemical: Benzaldehyde, 2,4-bis(1-methylethyl)-
Other Safety InformationIMAP assessments - Benzaldehyde, 2,4-bis(1-methylethyl)-: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 2,4-bis(1-methylethyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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