Allyl phenyl ether
Basic information
- CAS
1746-13-0- Standard SMILES
C=CCOc1ccccc1- InChIKey
POSICDHOUBKJKP-UHFFFAOYSA-N- Molecular formula
- C9H10O
- Average molar mass
- 134.17 g/mol
- Monoisotopic mass
- 134.07316494
Names & identifiers
- Preferred name
- Allyl phenyl ether
- IUPAC
- prop-2-enoxybenzene
- English name
- Allyl phenyl ether
- Molecular formula
- C9H10O
- Molecular weight
- 134.18
Names & synonyms
Allyl phenyl ether1746-13-0AllyloxybenzenePhenyl allyl etherBenzene, (2-propenyloxy)-Ether, allyl phenylPhenyl 2-propenyl etherPhenylpropenyl etherBenzene, (2-propen-1-yloxy)-26S07OSX4ODTXSID6061943NSC-4746
Show more names
usafdo-23USAF do-23ether,allylphenyl2-propenoxybenzenePhenol allyl ether
RefChem:110887phenyl 2-propen-1-yl etherDTXCID7035561217-125-3(allyloxy)benzene3-PhenoxypropeneAllyl phenoxylateprop-2-enoxybenzene
Database identifiers
- CAS
1746-13-0- PubChem CID
- 74458
- DTXSID
DTXSID6061943- UNII
- 26S07OSX4O
- EC Number
- 217-125-3
- Nikkaji
- J7.765H
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 92.9
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP2.94
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- 90 °C · 90 °C(Solv: water (7732-18-5))
- Boiling point
- 192 °C · 192 °C(lit.)
- Density
- 0.978 g/mL · 0.978 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.522(lit.)
- Flash point
- 145 °F · 145 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Insoluble in water, soluble in alcohol and oils
- form
- clear liquid
- Specific Gravity
- 0.978 · 0.978
- color
- Colorless to Almost colorless
- Odor
- Ethereal-rosy, green, slightly “gassy”, Geranium-type odor
- Water Solubility
- insoluble
- Hydrolytic Sensitivity
- 1 · 1: no significant reaction with aqueous systems
- BRN
- 1905622 · 1905622
- InChI
- 1S/C9H10O/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2
- InChIKey
- POSICDHOUBKJKP-UHFFFAOYSA-N
- SMILES
- C=CCOc1ccccc1
- LogP
- 2.94 · 2.940
- CAS DataBase Reference
- 1746 · 1746-13-0(CAS DataBase Reference)
- FDA UNII
- 26 S07OSX4O · 26S07OSX4O
- NIST Chemistry Reference
- Benzene, (2-propenyloxy)-(1746-13-0)
- EPA Substance Registry System
- Allyl phenyl ether (1746-13-0)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H302+H312+H332
- Precautionary statements
- 210 · P210-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P370+P378-P403+P235-P501-P210e-P280a-P370+P378a-P501a
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Safety Statements
- 24 · 24/25
- RIDADR
- 1993 · NA 1993 / PGIII
- WGK Germany
- 3 · 3
- RTECS
- 8575000 · DA8575000
- F
- 10 · 10-23
- TSCA
- TSCA listed
- HazardClass
- CBL
- HS Code
- 29093090 · 29093090
- Storage Class
- 10 · 10 - Combustible liquids
- Excepted Quantities
- Non-Hazardous
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 50% (1 of 2) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Benzene, (2-propen-1-yloxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, (2-propen-1-yloxy)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Peroxide Forming Chemical
Allyl phenyl ether
D: Other compounds that may form peroxides
Moderate peroxides found in new commerically available containers
Kelly
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- F
- 10-23
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DA8575000
- ridadr
- NA 1993 / PGIII
- hs_code
- 29093090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- hazard_class
- CBL
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227-H302+H312+H332
- Excepted Quantities
- Non-Hazardous
- Precautionary statements
- P210-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P370+P378-P403+P235-P501-P210e-P280a-P370+P378a-P501a
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzene, (2-propen-1-yloxy)-: ACTIVE
Applications
UsesAllyl phenyl ether is an pharmaceutical and OLED intermediate.
Upstream & downstream products
Downstream products
Related reactions
20 records
Compound notes
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