Basic information
- CAS
539-30-0- Standard SMILES
CCOCc1ccccc1- InChIKey
AXPZDYVDTMMLNB-UHFFFAOYSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.088815
Overview
Benzyl ethyl ether is a benzyl ether.
Names & identifiers
- Preferred name
- Benzyl ethyl ether
- IUPAC
- ethoxymethylbenzene
- English name
- BENZYL ETHYL ETHER
- Molecular formula
- C9H12O
- Molecular weight
- 136.19
Names & synonyms
(Ethoxymethyl)benzeneBenzyl ethyl ether539-30-0Ethyl benzyl etherEthoxymethylbenzeneBenzyl ethyl oxideBenzene, (ethoxymethyl)-Ether, benzyl ethylFEMA No. 2144UNII-5Y0D90XR7Kethoxymethyl-benzene5Y0D90XR7K
Show more names
(Ethoxymethyl)(ethoxymethyl)-benzen
(ethoxymethyl)-BenzeneNSC 8066NSC-8066EINECS 208-714-6(Ethoxymethyl)benzene, 9CIEther, benzyl ethyl (8CI)AI3-02270BENZYL ETHYL ETHER [MI]
Database identifiers
- CAS
539-30-0- PubChem CID
- 10873
- DTXSID
DTXSID4060230- ChEBI
CHEBI:192179- UNII
- 5Y0D90XR7K
- EC Number
- 208-714-6
- Nikkaji
- J43.434E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 74.8
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP
2.16
2.16
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.947-0.951 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
soluble (in ethanol)
Boiling Point
87.00 to 88.00 °C. @ 30.00 mm Hg
186-187 °C
Refractive Index1.493-1.498
Physical Descriptioncolourless oily liquid with a powerful, fruity, rather sharp aroma
Physicochemical properties
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzene, (ethoxymethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzene, (ethoxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Peroxide Forming Chemical
Benzyl ethyl ether
D: Other compounds that may form peroxides
Kelly
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- UN1993
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
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
General Manufacturing InformationBenzene, (ethoxymethyl)-: INACTIVE
Applications
OccurrenceReported found in cocoa, American cranberry, litchi (Litchi sinensis Sonn.) and eucalyptus oil.
UsesOrganic synthesis, flavoring.
Preparation methods
PreparationFrom benzyl chloride and sodium ethylate in alcoholic solution.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
3 records
Compound notes
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