p-tert-Amylphenyl acetate
Basic information
- CAS
6487-60-1- Standard SMILES
CCC(C)(C)c1ccc(OC(C)=O)cc1- InChIKey
SLRPYKPCRFYYCV-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- p-tert-Amylphenyl acetate
- IUPAC
- [4-(2-methylbutan-2-yl)phenyl] acetate
- English name
- 4-Tert.-amylphenyl acetate
- Molecular formula
- C13H18O2
- Molecular weight
- 206.28
Names & synonyms
p-tert-Amylphenyl acetate6487-60-1[4-(2-methylbutan-2-yl)phenyl] acetate70S0U9ASVZPhenol, 4-(1,1-dimethylpropyl)-, 1-acetateUNII-70S0U9ASVZ4-tert-Pentylphenol acetateSCHEMBL1787793SLRPYKPCRFYYCV-UHFFFAOYSA-NDTXSID701265414PENTYLPHENYL ACETATE, P-TERT-4-(1,1-Dimethylpropyl)phenol acetate
Show more names
4-tert-amylphenol acetate
4-(1,1-Dimethylpropyl)phenyl acetate4-(2-methylbutan-2-yl)phenyl acetatePHENOL, P-TERT-PENTYL-, ACETATE1-Acetyloxy-4-(1,1-dimethylpropyl)benzenePhenol, 4-(1,1-dimethylpropyl)-, acetateQ27265888
Database identifiers
- CAS
6487-60-1- PubChem CID
- 22990
- DTXSID
DTXSID701265414- UNII
- 70S0U9ASVZ
Properties
Computed structural properties
- XLogP
- 4
- 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
- 213
Physicochemical properties
- Boiling point
- 274.3 · 274.3±19.0 °C(Predicted)
- Density
- 0.981 · 0.981±0.06 g/cm3(Predicted)
- FDA UNII
- 70 S0U9ASVZ · 70S0U9ASVZ
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…