4-(2,4-Di-tert-pentylphenoxy)butanenitrile

Base Information

• Chemical Name: 4-(2,4-Di-tert-pentylphenoxy)butanenitrile
• CAS No.: 36268-65-2
• Molecular Formula: C20H31 N O
• Molecular Weight: 301.47
• Hs Code.: 2926909090
• European Community (EC) Number: 252-942-9
• DSSTox Substance ID: DTXSID1067962
• Nikkaji Number: J59.944A
• Wikidata: Q81994650
• Mol file: 36268-65-2.mol

Synonyms:4-(2,4-Di-tert-pentylphenoxy)butanenitrile;36268-65-2;4-(2,4-Di-tert-pentylphenoxy)butyronitrile;4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanenitrile;C20H31NO;4-(2,4-di-tert-amylphenoxy)butyronitrile;EINECS 252-942-9;Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-;Butanenitrile, 4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-;4-(2,4-Bis(tert-pentyl)phenoxy)butyronitrile;4-[2,4-bis(tert-pentyl)phenoxy]butyronitrile;DTXSID1067962;AKOS015999803;FT-0616502

Chemical Property of 4-(2,4-Di-tert-pentylphenoxy)butanenitrile

Chemical Property:

• Vapor Pressure: 7.27E-07mmHg at 25°C
• Boiling Point: 407.9°Cat760mmHg
• Flash Point: 171.3°C
• PSA: 33.02000
• Density: 0.934g/cm³
• LogP: 5.74438
• Storage Temp.: 2-8°C
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 301.240564612
• Heavy Atom Count: 22
• Complexity: 376

Purity/Quality:

99% ^*data from raw suppliers

4-(2,4-Di-tert-pentylphenoxy)butanenitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.
• Hazard Codes: R22:Harmful if swallowed.
• Statements: R22:Harmful if swallowed.
• Safety Statements: S22:Do not inhale dust.; S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)C1=CC(=C(C=C1)OCCCC#N)C(C)(C)CC