Benzyl Phenyl Ether
Basic information
- CAS
31324-44-4- Standard SMILES
c1ccc(COc2ccccc2)cc1- InChIKey
BOTNYLSAWDQNEX-UHFFFAOYSA-N- Molecular formula
- C13H12O
- Average molar mass
- 184.23 g/mol
- Monoisotopic mass
- 184.088815
Names & identifiers
- Preferred name
- Benzyl Phenyl Ether
- IUPAC
- phenoxymethylbenzene
- English name
- phenoxytoluene
- Molecular formula
- C13H12O
- Molecular weight
- 184.23378
Names & synonyms
Benzyl phenyl ether946-80-5BenzyloxybenzenePhenyl benzyl etherEther, benzyl phenylBenzene, (phenoxymethyl)-NSC 77971alpha-PhenylanisoleAnisole, alpha-phenyl-BUE863N0L8BENZYL PHENOLATENSC-77971
Show more names
phenoxytolueneMethylphenoxybenzene
DTXSID70870813RefChem:566843Ether, benzyl phenyl (8CI)Benzene, (phenoxymethyl)-(9CI)DTXCID20818503628-388-2(benzyloxy)benzenephenoxymethylbenzene
Database identifiers
- CAS
31324-44-4、946-80-5- PubChem CID
- 70352
- DTXSID
DTXSID70870813- ChEMBL
CHEMBL1796019- UNII
- BUE863N0L8
- EC Number
- 250-571-7、628-388-2
- Nikkaji
- J80.038D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 143
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP3.79
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationBenzene, (phenoxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
29 records
Compound notes
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