(2,4-Bis(1,1-dimethylpropyl)phenoxy)acetyl chloride
Basic information
- CAS
88-34-6- Standard SMILES
CCC(C)(C)c1ccc(OCC(=O)Cl)c(C(C)(C)CC)c1- InChIKey
KSYTWDUNKAIFLK-UHFFFAOYSA-N- Molecular formula
- C18H27ClO2
- Average molar mass
- 310.9 g/mol
- Monoisotopic mass
- 310.1699578
Names & identifiers
- Preferred name
- (2,4-Bis(1,1-dimethylpropyl)phenoxy)acetyl chloride
- IUPAC
- 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl chloride
- English name
- [2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl chloride
- Molecular formula
- C18H27ClO2
- Molecular weight
- 310.86
Names & synonyms
88-34-6EINECS 201-822-4(2,4-Bis(1,1-dimethylpropyl)phenoxy)acetyl chlorideDTXSID2058964[2,4-Bis(1,1-dimethylpropyl)phenoxy]acetyl chlorideAcetyl chloride, (2,4-bis(1,1-dimethylpropyl)phenoxy)-Acetyl chloride, [2,4-bis(1,1-dimethylpropyl)phenoxy]-Acetyl chloride, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-Acetyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-RefChem:394558DTXCID2048612201-822-4
Show more names
2,4-di(tert-pentyl)phenoxyacetyl chloride[2,4-bis(1,1-dimethylpropyl)phenoxy]-acetyl chlorid
2,4-di-tert-pentylphenoxyacetyl chlorideSCHEMBL48040022,4-Di-t-pentylphenoxyacetyl chlorideAKOS0158908202,4-di-tert-amylphenoxyacetyl chlorideDB-237198NS000392552-(2,4-di-t-pentylphenoxy)ethanoyl chloride
Database identifiers
- CAS
88-34-6- PubChem CID
- 66612
- DTXSID
DTXSID2058964- EC Number
- 201-822-4
- Nikkaji
- J192.654C
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Boiling point
- 143 · 143-146 °C(Press: 2.0 Torr)
- Density
- 1.019 · 1.019±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · Acetyl chloride, [2,4-bis(1,1-dimethylpropyl)phenoxy]- (88-34-6)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-: ACTIVE
Related reactions
6 records
Compound notes
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