Basic information
- CAS
17597-96-5- Standard SMILES
CCCCCCOCC=O- InChIKey
NNBJGVGKBIFRHE-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- (Hexyloxy)acetaldehyde
- IUPAC
- 2-hexoxyacetaldehyde
- English name
- (hexyloxy)acetaldehyde
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21144
Names & synonyms
(Hexyloxy)acetaldehyde2-hexoxyacetaldehyde2-(HEXYLOXY)ACETALDEHYDEAcetaldehyde, (hexyloxy)-638NVP9M4NHEXOXYACETALDEHYDEEINECS 241-565-5DTXSID00170050ACETALDEHYDE, 2-(HEXYLOXY)-RefChem:70107DTXCID9092541241-565-5
Show more names
17597-96-5UNII-638NVP9M4NSCHEMBL2097337SCHEMBL6738721SCHEMBL9494773NNBJGVGKBIFRHE-UHFFFAOYSA-NAKOS011009123NS00025776
Database identifiers
- CAS
17597-96-5- PubChem CID
- 87167
- DTXSID
DTXSID00170050- UNII
- 638NVP9M4N
- EC Number
- 241-565-5
- Nikkaji
- J287.082G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 71.7
Physicochemical properties
- FDA UNII
- 638 NVP9M4N · 638NVP9M4N
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 InformationChemical: Acetaldehyde, (hexyloxy)-
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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