1,3-Dioxolane, 2-(2-phenylethenyl)-
Basic information
- CAS
5660-60-6- Standard SMILES
C(=CC1OCCO1)c1ccccc1- InChIKey
JQLASNFFJHGQTK-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- 1,3-Dioxolane, 2-(2-phenylethenyl)-
- IUPAC
- 2-(2-phenylethenyl)-1,3-dioxolane
- English name
- Cinncloval
- Molecular formula
- C11H12O2
- Molecular weight
- 176.21
Names & synonyms
DTXSID2063971RefChem:414881DTXCID90420931,3-DIOXOLANE, 2-(2-PHENYLETHENYL)-SCHEMBL3257590247219-77-8CINNCLOVALCinncloval USP/EP/BP2-styryl-1,3-dioxolane2-Cinnamyl-1,3-dioxolane3-Phenylpropenal ethylene acetal2-(2-Phenylethenyl)-1,3-dioxolane
Database identifiers
- CAS
5660-60-6- PubChem CID
- 21870
- DTXSID
DTXSID2063971
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 34 °C · 34 °C
- Boiling point
- 145 · 145-147 °C(Press: 18 Torr)
- Density
- 1.183 · 1.183±0.06 g/cm3(Predicted)
- FEMA
- 2287 · 2287 | CINNAMALDEHYDE ETHYLENE GLYCOL ACETAL
- FLAVIS Number
- 6.014 · 06.014 | Cinnamaldehyde ethylene glycol acetal
- solubility
- Insoluble in water, soluble in alcohol and oils
- color
- Almost colorless oily liquid
- Odor
- 10 % · at 10.00 % in dipropylene glycol. soft warm spicy cinnamon allspice
- Odor Type
- spicy
- JECFA Number
- 648 · 648
- LogP
- 1.67 · 1.67
- Substances Added to Food (formerly EAFUS)
- CINNAMALDEHYDE ETHYLENE GLYCOL ACETAL
- FDA UNII
- 730 Y5985Z · 0730Y5985Z
- EPA Substance Registry System
- 1 · 1,3-Dioxolane, 2-(2-phenylethenyl)- (5660-60-6)
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
Chemical: 1,3-Dioxolane, 2-(2-phenylethenyl)-
1,3-Dioxolane, 2-(2-phenylethenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxolane, 2-(2-phenylethenyl)-: ACTIVE
Applications
UsesThis acetal is used in flavor compositions such as Allspice, Cassia, Cinnamon, Clove and various Spice blends, etc. Concentration is usually very small (a few ppm. ) in the finished product. Under distinctly acid conditions (pickles, etc. ), the acetal will decompose and act as Cinnamic aldehyde. This will change the flavor effect of the composition. However, this acetal is moderately stable under mildly acid conditions.
Preparation methods
PreparationFrom cinnamic aldehyde and ethylene glycol.
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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