Allyl phenyl ether

HCID 74458CAS 1746-13-0
Substructure searchFind similar structures

Basic information

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

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

Safety & regulation

GHS classification

GHS Classification · 5 items

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 · 1 item

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 · 4 items

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

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 items

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

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

20 records
New reaction record

Linked notes

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