Basic information
- CAS
74094-62-5- Standard SMILES
CCCCCCCCCCC1OCC(C)O1- InChIKey
ZOJCTKZSRSUPTO-UHFFFAOYSA-N- Molecular formula
- C14H28O2
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.20893013
Overview
Undecanal propyleneglycol acetal is a dioxolane.
Names & identifiers
- Preferred name
- 2-Decyl-4-methyl-1,3-dioxolane
- IUPAC
- 2-decyl-4-methyl-1,3-dioxolane
Names & synonyms
2-decyl-4-methyl-1,3-dioxolaneUndecanal propyleneglycol acetalUndecanal propylene glycol acetal74094-62-5FEMA No. 43741,3-Dioxolane, 2-decyl-4-methyl-UNII-4UGG1451Y3Undecanal propyleneglycol acetal [FHFI]4UGG1451Y3(+-)-Undecanal propyleneglycol acetalUndecanal propyleneglycol acetal, (+-)-RefChem:197742
Show more names
NSC-22582NSC22582SCHEMBL3504683SCHEMBL27233647DTXSID40868282CHEBI:179781NS00127287(+/-)-UNDECANAL PROPYLENEGLYCOL ACETAL
Database identifiers
- CAS
74094-62-5- PubChem CID
- 229153
- DTXSID
DTXSID40868282- ChEBI
CHEBI:179781- UNII
- 4UGG1451Y3
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.879-0.885
Solubility
Insoluble in water; soluble in organic solvents
Soluble (in ethanol)
Boiling Point
286.00 to 287.00 °C. @ 760.00 mm Hg
286-287 °C
Refractive Index1.435-1.441
Physical DescriptionClear, colourless liquid; Sweet, fatty, floral aroma
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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