Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
Basic information
- CAS
36268-65-2- Standard SMILES
CCC(C)(C)c1ccc(OCCCC#N)c(C(C)(C)CC)c1- InChIKey
JEWCXPGDBLFXNE-UHFFFAOYSA-N- Molecular formula
- C20H31NO
- Average molar mass
- 301.5 g/mol
- Monoisotopic mass
- 301.24056461
Names & identifiers
- Preferred name
- Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
- IUPAC
- 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanenitrile
- English name
- 4-(2,4-Di-tert-amylphenoxy)butyronitrile
- Molecular formula
- C20H31NO
- Molecular weight
- 301.47
Names & synonyms
4-(2,4-Di-tert-pentylphenoxy)butyronitrileButanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-EINECS 252-942-9DTXSID1067962Butanenitrile, 4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-RefChem:571284DTXCID00391484-(2,4-Di-tert-pentylphenoxy)butanenitrile36268-65-24-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanenitrile4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanenitrileFGX68G39DB
Show more names
LABOTEST-BB LT008477482,4-Di-tert-amylphenoxybutyronitrile4-(2,4-Di-tert-amylphenoxy)butyronitrile4-[2,4-bis(tert-pentyl)phenoxy]butyronitrile4-(2,4-DI-TERT-AMYLPHENOXY)BUTYRONITRILE 98+%4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-butanenitril4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-ButanenitrileButanenitrile,4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
JEWCXPGDBLFXNE-UHFFFAOYSA-NSBB058299AKOS015999803DB-048941NS00030007ST510161914-(2,4-Bis(tert-pentyl)phenoxy)butyronitrile
Database identifiers
- CAS
36268-65-2- PubChem CID
- 118935
- DTXSID
DTXSID1067962- UNII
- FGX68G39DB
- EC Number
- 252-942-9
- Nikkaji
- J59.944A
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 376
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 407.9 · 407.9±40.0 °C(Predicted)
- Density
- 0.934 · 0.934±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- EPA Substance Registry System
- 4 · Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]- (36268-65-2)
- 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 InformationButanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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