Basic information
- CAS
16728-51-1- Standard SMILES
CCCCCCCCCCOCCC#N- InChIKey
VBBZORLTUCTLEO-UHFFFAOYSA-N- Molecular formula
- C13H25NO
- Average molar mass
- 211.34 g/mol
- Monoisotopic mass
- 211.19361442
Names & identifiers
- Preferred name
- 3-(Decyloxy)propionitrile
- IUPAC
- 3-decoxypropanenitrile
- English name
- 3-(decyloxy)propiononitrile
- Molecular formula
- C13H25NO
- Molecular weight
- 211.34
Names & synonyms
3-(Decyloxy)propionitrile3-(Decyloxy)propiononitrile3-(decyloxy)propanenitrile16728-51-13-decyloxypropanenitrilePropanenitrile, 3-(decyloxy)-EINECS 240-790-6SCHEMBL2879749DTXSID0066113SBB060055AKOS024390801NS00025486
Show more names
3-Decoxypropanenitrile
ST51046307
Database identifiers
- CAS
16728-51-1- PubChem CID
- 85577
- DTXSID
DTXSID0066113- EC Number
- 240-790-6
- Nikkaji
- J27.782G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 103 °C · 103 °C(Press: 0.03 Torr)
- Density
- 0.87 · 0.870±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 3 · 3-(Decyloxy)propionitrile (16728-51-1)
- 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.
Hazard information
Regulatory Information
Propanenitrile, 3-(decyloxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanenitrile, 3-(decyloxy)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Propanenitrile, 3-(decyloxy)-: ACTIVE
Related reactions
10 records
Compound notes
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