Basic information
- CAS
72928-50-8- Standard SMILES
CC(C)(C)c1ccc(OCC=O)cc1- InChIKey
MNRZECIRFMLTEY-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- Acetaldehyde, 2-[4-(1,1-dimethylethyl)phenoxy]-
- IUPAC
- 2-(4-tert-butylphenoxy)acetaldehyde
- English name
- [4-(1,1-dimethylethyl)phenoxy]acetaldehyde
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25424
Names & synonyms
(p-tert-Butylphenoxy)acetaldehydeEINECS 277-080-0Acetaldehyde, [4-(1,1-dimethylethyl)phenoxy]-DTXSID7072672Acetaldehyde, (4-(1,1-dimethylethyl)phenoxy)-Acetaldehyde, 2-(4-(1,1-dimethylethyl)phenoxy)-Acetaldehyde, 2-[4-(1,1-dimethylethyl)phenoxy]-RefChem:551510DTXCID304742572928-50-8(4-tert-butylphenoxy)acetaldehyde2-(4-tert-butylphenoxy)acetaldehyde
Show more names
[4-(1,1-dimethylethyl)phenoxy]acetaldehyde
SCHEMBL1059941SCHEMBL1822846SCHEMBL1936878AKOS011011217DB-202238(4-(1,1-Dimethylethyl)phenoxy)acetaldehydeNS000374402-[4-(1,1-dimethylethyl)phenoxy]acetoaldehyde
Database identifiers
- CAS
72928-50-8- PubChem CID
- 166373
- DTXSID
DTXSID7072672- EC Number
- 277-080-0
- Nikkaji
- J133.198A
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 173
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- 4 · Acetaldehyde, [4-(1,1-dimethylethyl)phenoxy]- (72928-50-8)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory InformationChemical: Acetaldehyde, [4-(1,1-dimethylethyl)phenoxy]-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetaldehyde, 2-[4-(1,1-dimethylethyl)phenoxy]-: INACTIVE
Related reactions
6 records
Compound notes
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