Basic information
- CAS
72894-07-6- Standard SMILES
CCCCCCCCCCOCC=O- InChIKey
SWBGVIRRFYDZBQ-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Names & identifiers
- Preferred name
- Acetaldehyde, (decyloxy)-
- IUPAC
- 2-decoxyacetaldehyde
- English name
- (decyloxy)acetaldehyde
- Molecular formula
- C12H24O2
- Molecular weight
- 200.31776
Names & synonyms
(Decyloxy)acetaldehydeAcetaldehyde, (decyloxy)-72894-07-6Acetaldehyde, 2-(decyloxy)-EINECS 276-961-7DTXSID2072627RefChem:551499DTXCID0047379276-961-7decyl oxyacetaldehydedecyloxy-acetaldehydeSCHEMBL5035861
Show more names
(decyloxy)-Actaldehyde2-(Decyloxy)acetaldehyde
SCHEMBL9802054SWBGVIRRFYDZBQ-UHFFFAOYSA-NNS00012204
Database identifiers
- CAS
72894-07-6- PubChem CID
- 166341
- DTXSID
DTXSID2072627- EC Number
- 276-961-7
- Nikkaji
- J318.876K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 113
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 19.5 · 19.5-20 °C
- Boiling point
- 133 · 133-135 °C(Press: 15 Torr)
- Density
- 0.8663 g/cm3 · 0.8663 g/cm3
- Odor
- 10 % · at 10.00 % in dipropylene glycol. fatty rose waxy
- Odor Type
- fatty
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.565 · 3.565 (est)
- EPA Substance Registry System
- Acetaldehyde, (decyloxy)- (72894-07-6)
- 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 InformationChemical: Acetaldehyde, (decyloxy)-
Other Safety InformationIMAP assessments - Acetaldehyde, (decyloxy)-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetaldehyde, 2-(decyloxy)-: INACTIVE
Applications
UsesInteresting in perfume compositions where decyl oxyacetaldehyde may introduce desirable "waxy"-floral petal-notes in above floral types, or it may be a part of a topnote composition which can be Citrusy, floral or aidehydic. It lends power and tenacity to such materials.
Preparation methods
PreparationDecyl oxyacetaldehyde is producedfrom Decanol plus Sodium Methylate. The Acetal which is formed is subsequently reacted with Bromodimethyl acelal. The resulting Acetal is finally hydrolyzed with Oxalic acid to yield the Aldehyde.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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