1,1-Bis(phenethyloxy)ethane
Basic information
- CAS
122-71-4- Standard SMILES
CC(OCCc1ccccc1)OCCc1ccccc1- InChIKey
JBMMTNRBVCXMHJ-UHFFFAOYSA-N- Molecular formula
- C18H22O2
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.16197994
Names & identifiers
- Preferred name
- 1,1-Bis(phenethyloxy)ethane
- IUPAC
- 2-[1-(2-phenylethoxy)ethoxy]ethylbenzene
- English name
- Phenylethyl acetal
- Molecular formula
- C18H22O2
- Molecular weight
- 270.37
Names & synonyms
1,1-Bis(phenethyloxy)ethaneAcetaldehyde diphenethyl acetal122-71-4Benzene, 1,1'-[ethylidenebis(oxy-2,1-ethanediyl)]bis-EINECS 204-568-2DTXSID8051625Benzene, 1,1'-(ethylidenebis(oxy-2,1-ethanediyl))bis-1,1'-[Ethylidenebis(oxy-2,1-ethanediyl)]bis[benzene]1,1'-(Ethylidenebis(oxy-2,1-ethanediyl))bis(benzene)RefChem:409718DTXCID9030177204-568-2
Show more names
PHENETHYL ACETALPhenylethyl acetal1,1-DIPHENETHOXYETHANE1,1-Bis(phenethyloxy)ethanACETALDEHYD-DIPHENYLETHYLACETAL(2-[1-(2-Phenylethoxy)ethoxy]ethyl)benzeneBenzene, 1,1-ethylidenebis(oxy-2,1-ethanediyl)bis-
Phenylethylacetal2-[1-(2-phenylethoxy)ethoxy]ethylbenzeneAcetaldehyde diphenylethylacetalSCHEMBL4449191WD6P59RS23NS00011925(2-[1-(2-Phenylethoxy)ethoxy]ethyl)benzene #1,1'-[ethane-1,1-diylbis(oxyethane-2,1-diyl)]dibenzene
Database identifiers
- CAS
122-71-4- PubChem CID
- 101592
- DTXSID
DTXSID8051625- UNII
- WD6P59RS23
- EC Number
- 204-568-2
- Nikkaji
- J297.780J
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 206
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Acetaldehyde, diphenethyl acetal) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 103 °C · 103 °C(Press: 23 Torr)
- Density
- 1.0311 g/cm3 · 1.0311 g/cm3
- FLAVIS Number
- 6.078 · 06.078 | 1,1-Diphenethoxyethane
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 4.038 · 4.038 (est)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 1 · Benzene, 1,1'-[ethylidenebis(oxy-2,1-ethanediyl)]bis- (122-71-4)
- 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% (260 of 260) of all reports.
Not Classified
Aggregated GHS information provided per 260 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzene, 1,1'-[ethylidenebis(oxy-2,1-ethanediyl)]bis-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzene, 1,1'-[ethylidenebis(oxy-2,1-ethanediyl)]bis-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzene, 1,1'-[ethylidenebis(oxy-2,1-ethanediyl)]bis-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzene, 1,1'-[ethylidenebis(oxy-2,1-ethanediyl)]bis-: ACTIVE
Applications
UsesPhenylethyl acetal finds use in Gardenia, Hyacinth, Lilac, Rose, Oriental, Carnation, Nluguet, etc. and often as part of a topnote complex with or without the Hexenyl esters, etc.The material is used in flavor compositions for fruity green effects in Blackcurrant, Cucumber, Apple, etc.
Preparation methods
PreparationPhenylethyl acetal is prepared from Phenylethylalcohol and Acetylene.
Suppliers
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Related reactions
0 records
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Compound notes
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