1,3-Dioxolane, 4-methyl-2-(2-phenylethenyl)-
Basic information
- CAS
4353-01-9- Standard SMILES
CC1COC(C=Cc2ccccc2)O1- InChIKey
MQLAQZSLFAOEAK-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- 1,3-Dioxolane, 4-methyl-2-(2-phenylethenyl)-
- IUPAC
- 4-methyl-2-(2-phenylethenyl)-1,3-dioxolane
- English name
- 4-methyl-2-styryl-1,3-dioxolane
- Molecular formula
- C12H14O2
- Molecular weight
- 190.24
Names & synonyms
1,3-Dioxolane, 4-methyl-2-(2-phenylethenyl)-4353-01-9DTXSID40863373RefChem:196798DTXCID80812002SCHEMBL8740778MQLAQZSLFAOEAK-UHFFFAOYSA-NDB-3226544-Methyl-2-(2-phenylethen-1-yl)-1,3-dioxolane4-methyl-2-styryl-1,3-dioxolane1,3-Dioxolane, 4-methyl-2-styryl-(E)-4-methyl-2-styryl-1,3-dioxolane
Show more names
4-Methyl-2-(2-phenylethenyl)-1,3-dioxolaneTRANS-4-METHYL-2-(2-PHENYLVINYL)-1,3-DIOXOLANE
Database identifiers
- CAS
4353-01-9- PubChem CID
- 101137
- DTXSID
DTXSID40863373- EC Number
- 224-421-6
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.059-1.069
Solubility
Insoluble
Soluble (in ethanol)
Boiling Point274-275 °C
Refractive Index1.542-1.552
Physical DescriptionPale yellow to yellow clear liquid; Spicy cinnamon aroma
Physicochemical properties
- Boiling point
- 109 °C · 109 °C(Press: 2 Torr)
- Density
- 1.126 · 1.126±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- FEMA
- 4596 · 4596 | CINNAMALDEHYDE PROPYLENEGLYCOL ACETAL
- Odor
- 100 % · at 100.00 %. spicy cinnamon
- Odor Type
- spicy
- JECFA Number
- 2214 · 2214
- LogP
- 2.16 · 2.16
- Substances Added to Food (formerly EAFUS)
- CINNAMALDEHYDE PROPYLENEGLYCOL ACETAL
- FDA UNII
- 69 HZU774Z · S69HZU774Z
- EPA Substance Registry System
- 1 · 1,3-Dioxolane, 4-methyl-2-(2-phenylethenyl)- (4353-01-9)
- TSCA
- TSCA listed
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 InformationChemical: 1,3-Dioxolane, 4-methyl-2-(2-phenylethenyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information1,3-Dioxolane, 4-methyl-2-(2-phenylethenyl)-: INACTIVE
Applications
UsesCinnamaldehyde Propylene Glycol Acetal is a derivative of Cinnamaldehyde (C442005). Does exibit antimicrobial activitie.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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