Acetaldehyde, (octyloxy)-
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Basic information
- CAS
53488-14-5- Standard SMILES
CCCCCCCCOCC=O- InChIKey
IJPYVMFNQLITDN-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- Acetaldehyde, (octyloxy)-
- IUPAC
- 2-octoxyacetaldehyde
- English name
- OCTYL OXY-ACETALDEHYDE
- Molecular formula
- C10H20O2
- Molecular weight
- 172.26
Names & synonyms
Octyloxyacetaldehyde53488-14-5Octyl oxy-acetaldehyde(Octyloxy)acetaldehydeAcetaldehyde, (octyloxy)-2-(octyloxy)acetaldehyde668T0OBQ79EINECS 258-582-9UNII-668T0OBQ79DTXSID1068857RefChem:108786DTXCID4041444
Show more names
(octyloxy)-acetaldehyd
Octyloxy-acetaldehydeAcetaldehyde, 2-(octyloxy)-octyl oxyacetaldehyden-octyl oxyacetaldehydeSCHEMBL3506693SCHEMBL10704481AKOS011009124DB-321330
Database identifiers
- CAS
53488-14-5- PubChem CID
- 104512
- DTXSID
DTXSID1068857- UNII
- 668T0OBQ79
- EC Number
- 258-582-9
- Nikkaji
- J295.969K
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 91.8
Physicochemical properties
- Boiling point
- 93 · 93-94 °C(Press: 6 Torr)
- Density
- 0.8752 g/cm3 · 0.8752 g/cm3(Temp: 23 °C)
- Odor
- 10 % · at 10.00 % in dipropylene glycol. powerful green floral sweet
- Odor Type
- green
- LogP
- 2.546 · 2.546 (est)
- FDA UNII
- 668 T0OBQ79 · 668T0OBQ79
- EPA Substance Registry System
- Acetaldehyde, (octyloxy)- (53488-14-5)
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Acetaldehyde, (octyloxy)-
Acetaldehyde, (octyloxy)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetaldehyde, 2-(octyloxy)-: ACTIVE
Related reactions
3 records
Compound notes
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