2-(4-Tert-butylphenyl)acetaldehyde
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Basic information
- CAS
109347-45-7- Standard SMILES
CC(C)(C)c1ccc(CC=O)cc1- InChIKey
VMLYBYNXKMHLIJ-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 2-(4-Tert-butylphenyl)acetaldehyde
- IUPAC
- 2-(4-tert-butylphenyl)acetaldehyde
- English name
- 2-(4-TERT-BUTYLPHENYL)ACETALDEHYDE
- Molecular formula
- C12H16O
- Molecular weight
- 176.25
Names & synonyms
2-(4-tert-butylphenyl)acetaldehyde109347-45-7DTXSID70344246RefChem:252834DTXCID30295321(4-tert-Butylphenyl)acetaldehydeMFCD087033772-(4-(tert-butyl)phenyl)acetaldehyde2-[4-(tert-Butyl)phenyl]acetaldehydeSCHEMBL3639494SCHEMBL6483875(4-tert-Butylphenyl)acetaldehyde #
Show more names
JEA34745AKOS0118971274-(1,1-Dimethylethyl)benzeneacetaldehydeBenzeneethanal, 4-[1,1-dimethylethyl]-SY165241CS-0237842NS00095827Benzeneacetaldehyde, 4-(1,1-dimethylethyl)-
Database identifiers
- CAS
109347-45-7- PubChem CID
- 595340
- DTXSID
DTXSID70344246- Nikkaji
- J560.033B
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Boiling point
- 87 °C · 87 °C(Press: 3 Torr)
- Density
- 0.946 · 0.946±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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