1,3-Dioxolane, 2-(1-phenylethyl)-
Basic information
- CAS
4362-22-5- Standard SMILES
CC(c1ccccc1)C1OCCO1- InChIKey
SATZAQAJSHXNSJ-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Overview
2-(1-phenylethyl)-1,3-dioxolane is a dioxolane that is 1,3-dioxolane substituted by a 1-phenylethyl group at position 2. It has a role as a metabolite. It is a member of benzenes, a dioxolane and a cyclic acetal. It derives from a hydride of a 1,3-dioxolane.
Names & identifiers
- Preferred name
- 1,3-Dioxolane, 2-(1-phenylethyl)-
- IUPAC
- 2-(1-phenylethyl)-1,3-dioxolane
- English name
- 1,3-Dioxolane, 2-(1-phenylethyl)
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
2-(1-Phenylethyl)-1,3-dioxolane4362-22-51,3-Dioxolane, 2-(1-phenylethyl)-2-phenylpropanal ethylene acetalG7I4277EKNEINECS 224-449-9NSC 39437NSC-394371,3-Dioxolane, 2-(alpha-methylbenzyl)-AI3-31829CHEBI:87596DTXSID10863380
Show more names
2-phenyl propionaldehyde ethylene glycol acetalRARECHEM AL BP 01232-(1-phenylethyl)-3-dioxolane3-Dioxolane,2-(1-phenylethyl)-11,3-Dioxolane, 2-(1-phenylethyl)HYDRATROPIC ALDEHYDE CYCLOGLYCOL ACETAL
2-(1-PHENYLETHYL)DIOXOLANERefChem:414877DTXCID40812008224-449-9UNII-G7I4277EKNNSC394371, 2-(1-phenylethyl)-SCHEMBL3506568
Database identifiers
- CAS
4362-22-5- PubChem CID
- 97785
- DTXSID
DTXSID10863380- ChEBI
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 146
Physicochemical properties
- solubility
- Almost insoluble in water, soluble in alcohol and oils.
- color
- Colorless oily liquid
- Odor
- 100 % · at 100.00 %. floral green mushroom earth
- Odor Type
- floral
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 1.942 · 1.942 (est)
- FDA UNII
- 7 I4277EKN · G7I4277EKN
- EPA Substance Registry System
- 1 · 1,3-Dioxolane, 2-(1-phenylethyl)- (4362-22-5)
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,3-Dioxolane, 2-(1-phenylethyl)-
1,3-Dioxolane, 2-(1-phenylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxolane, 2-(1-phenylethyl)-: ACTIVE
Applications
UsesChyprc, Fougerc and other Oakmoss-carrying fragrances can achieve intriguing nuances with this material, and woody bases can be modified into new types. Coumarin and its derivatives arc good sccondaty fixatives, and Opopanax is often a very interesting companion to this Acetal.
Additional notes
DefinitionChEBI: A dioxolane that is 1,3-dioxolane substituted by a 1-phenylethyl group at position 2.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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