Cinnamaldehyde ethylene glycol acetal
Basic information
- CAS
5660-60-6- Standard SMILES
C(=C\C1OCCO1)/c1ccccc1- InChIKey
JQLASNFFJHGQTK-VOTSOKGWSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Overview
See also: 1,3-Dioxolane, 2-(2-phenylethenyl)- (annotation moved to).
Names & identifiers
- Preferred name
- Cinnamaldehyde ethylene glycol acetal
- IUPAC
- 2-[(E)-2-phenylethenyl]-1,3-dioxolane
- English name
- Cinncloval
- Molecular formula
- C11H12O2
- Molecular weight
- 176.21
Names & synonyms
CinnclovalCINNAMALDEHYDE ETHYLENE GLYCOL ACETAL2-Styryl-1,3-dioxolane2-(2-Phenylethenyl)-1,3-dioxolane2-Styryl-m-dioxolaneFEMA No. 22871,3-Dioxolane, 2-styryl-CINCLOVALCinnamaldehyde cyclic ethylene acetalEINECS 227-110-3NSC 408703NSC-408703
Show more names
Cinncloval USP/EP/BP2-Cinnamyl-1,3-dioxolane3-Phenylpropenal ethylene acetal1,3-Dioxolane, 2-(2-phenylethenyl)-
Cinnamic aldehyde ethylene glycol acetalAI3-226130730Y5985ZCinnamaldehyde ethylene glycol acetal (natural)2-(2-PHENYLETHYLENE)-1,3-DIOXOLANECINNAMALDEHYDE ETHYLENE GLYCOL ACETAL [FHFI]RefChem:5771901,3-Dioxolane, 2-styryl-(8CI)
Database identifiers
- CAS
5660-60-6- PubChem CID
- 6284401
- UNII
- 0730Y5985Z
- EC Number
- 227-110-3
- Nikkaji
- J225.080B、J432.501J
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
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.095-1.103
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in oils
miscible (in ethanol)
Boiling Point265 °C
Refractive Index1.561-1.570
Physical DescriptionNearly colourless oily liquid, soft, spicy, warm, sweet odour
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)
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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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