Basic information
- CAS
202188-46-3- Standard SMILES
CCCCCC1CCOC(CCCCC)O1- InChIKey
JTGGXBHDIVDFHP-UHFFFAOYSA-N- Molecular formula
- C14H28O2
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.20893013
Overview
Hexanal octane-1,3-diol acetal is a member of dioxanes.
Names & identifiers
- Preferred name
- Hexanal octane-1,3-diol acetal
- IUPAC
- 2,4-dipentyl-1,3-dioxane
Names & synonyms
2,4-dipentyl-1,3-dioxaneHexanal octane-1,3-diol acetalFEMA No. 4377UNII-8K24ODV341Aldehyde C-6 octane-1,3-diol acetal8K24ODV341202188-46-3Hexanal octane-1,3-diol acetal [FIFH]DTXSID10942301HEXANAL 1,3-OCTANEDIOL ACETALHEXANAL OCTANE-1,3-DIOL ACETAL [FHFI]Hexanal octane-1,3-diol acetal (FIFH)
Show more names
RefChem:146098DTXCID901370708(+-)-HEXANAL OCTANE-1,3-DIOL ACETALHEXANAL OCTANE-1,3-DIOL ACETAL, (+-)-(+/-)-Hexanal octane-1,3-diol acetalHexanal octane-1,3-diol acetal, (+/-)-SCHEMBL2997425CHEBI:179777
Database identifiers
- CAS
202188-46-3- PubChem CID
- 526993
- DTXSID
DTXSID10942301- ChEBI
CHEBI:179777- UNII
- 8K24ODV341
- EC Number
- 606-466-7
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.869-0.875
Solubility
Insoluble in water; soluble in organic solvents
Soluble (in ethanol)
Boiling Point287-288 °C
Refractive Index1.425-1.432
Physical DescriptionClear, colourless liquid; Fatty, green 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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