1,1-Diethoxydodecane
Basic information
- CAS
53405-98-4- Standard SMILES
CCCCCCCCCCCC(OCC)OCC- InChIKey
CHURJRSXCYIYQX-UHFFFAOYSA-N- Molecular formula
- C16H34O2
- Average molar mass
- 258.44 g/mol
- Monoisotopic mass
- 258.25588032
Names & identifiers
- Preferred name
- 1,1-Diethoxydodecane
- IUPAC
- 1,1-diethoxydodecane
- English name
- 1,1-diethoxydodecane
- Molecular formula
- C16H34O2
- Molecular weight
- 258.44
Names & synonyms
1,1-Diethoxydodecane53405-98-4Dodecanal diethyl acetalEINECS 258-541-5AI3-05100DTXSID00201570RefChem:71069DTXCID30124061258-541-5Dodecane, 1,1-diethoxy-MFCD11554572VNY67UE37B
Show more names
1,1-Diethoxidedecane
SCHEMBL2199092SCHEMBL8930848CHURJRSXCYIYQX-UHFFFAOYSA-NDB-311325NS00022317
Database identifiers
- CAS
53405-98-4- PubChem CID
- 104487
- DTXSID
DTXSID00201570- UNII
- VNY67UE37B
- EC Number
- 258-541-5
- Nikkaji
- J295.951H
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 142
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- FLAVIS Number
- 6.062 · 06.062 | 1,1-Diethoxydodecane
- LogP
- 6.117 · 6.117 (est)
- FDA UNII
- 67 UE37B · VNY67UE37B
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
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Dodecane, 1,1-diethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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