Basic information
- CAS
40567-16-6- Standard SMILES
CCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Cl- InChIKey
WHZZJRDDIPKYMV-UHFFFAOYSA-N- Molecular formula
- C20H31ClO2
- Average molar mass
- 338.9 g/mol
- Monoisotopic mass
- 338.20125791
Names & identifiers
- Preferred name
- 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride
- IUPAC
- 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl chloride
- English name
- 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyryl chloride
- Molecular formula
- C20H31ClO2
- Molecular weight
- 338.91
Names & synonyms
Butanoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-EINECS 254-978-02-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyryl chlorideDTXSID50885809Butanoyl chloride, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-RefChem:451883DTXCID401025170254-978-040567-16-62-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl chlorideSCHEMBL7131378
Show more names
2-(2,4-Di-tert-amylphenoxy)-butyryl chloride2-(2,4-Di-tert-pentylphenoxy)butanoic acid chloride2-[2.4-bis(1,1-dimethylpropylyphenoxy]butyryl chloride2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-Butanoyl chloride 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-butanoyl chlorid
AKOS0158908122-(2,4-di-t-amylphenoxy)butanoyl chlorideDB-239652NS000577202-(2,4-di-tert-amylphenoxy)butanoyl chloride2-(2,4-di-tert-amylphenoxy)butyryl chloride2-(2,4-di-tert-pentylphenoxy)butyryl chloride2-(2,4-di-t-amylphenoxy)butanoic acid chloride
Database identifiers
- CAS
40567-16-6- PubChem CID
- 170393
- DTXSID
DTXSID50885809- EC Number
- 254-978-0
- Nikkaji
- J179.155I
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Boiling point
- 138 · 138-140 °C(Press: 1.0 Torr)
- Density
- 1.002 · 1.002±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · Butanoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]- (40567-16-6)
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationStatus: Active Update: 27-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24782
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-: ACTIVE
Suppliers2 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
Related reactions
11 records
Compound notes
Loading…