1-Butanol, 1-ethoxy-2,2,3,3,4,4,4-heptafluoro-
Basic information
- CAS
356-26-3- Standard SMILES
CCOC(O)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
NPUHUJNJOILQJC-UHFFFAOYSA-N- Molecular formula
- C6H7F7O2
- Average molar mass
- 244.11 g/mol
- Monoisotopic mass
- 244.0334266
Names & identifiers
- Preferred name
- 1-Butanol, 1-ethoxy-2,2,3,3,4,4,4-heptafluoro-
- IUPAC
- 1-ethoxy-2,2,3,3,4,4,4-heptafluorobutan-1-ol
- English name
- Heptafluorobutyraldehyde ethyl hemiacetal
- Molecular formula
- C6H7F7O2
- Molecular weight
- 244.11
Names & synonyms
Heptafluorobutyraldehyde ethyl hemiacetal356-26-3EINECS 206-601-6Heptafluorobutyl butyraldehyde, ethyl hemiacetalNSC 658781-Butanol, 1-ethoxy-2,2,3,3,4,4,4-heptafluoro-DTXSID00883370RefChem:430863DTXCID9010229071-Ethoxy-2,2,3,3,4,4,4-heptafluorobutan-1-olHeptafluorobutanal ethyl hemiacetal1-ethoxy-2,2,3,3,4,4,4-heptafluoro-butan-1-ol
Show more names
1-Ethoxy-2,2,3,3,4,4,4-heptafluoro-1-butanol
SCHEMBL11051363NSC65878MFCD00039250NSC-65878AKOS037621418DB-048850NS00041615
Database identifiers
- CAS
356-26-3- PubChem CID
- 97989
- DTXSID
DTXSID00883370- EC Number
- 206-601-6
- Nikkaji
- J193.849E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 212
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 104.1 · 104.1±40.0 °C(Predicted)
- Density
- 1.435 · 1.435±0.06 g/cm3(Predicted)
- pka
- 10.63 · 10.63±0.20(Predicted)
- EPA Substance Registry System
- 1 · 1-Butanol, 1-ethoxy-2,2,3,3,4,4,4-heptafluoro- (356-26-3)
- 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 InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Butanol, 1-ethoxy-2,2,3,3,4,4,4-heptafluoro-: INACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…