Phenol, 2-(2-propenyloxy)-

HCID 70772

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Basic information

CAS: 1126-20-1
Standard SMILES: C=CCOc1ccccc1O
InChIKey: FNEJKCGACRPXBT-UHFFFAOYSA-N
Molecular formula: C9H10O2
Average molar mass: 150.17 g/mol
Monoisotopic mass: 150.06807956

Names & identifiers

Preferred name: Phenol, 2-(2-propenyloxy)-
IUPAC: 2-prop-2-enoxyphenol
English name: 2-(Allyloxy)phenol
Molecular formula: C9H10O2
Molecular weight: 150.17

Names & synonyms

Phenol, 2-(2-propenyloxy)-RefChem:8607922-(allyloxy)phenol1126-20-12-allyloxyphenol2-prop-2-enoxyphenol2-allyloxy-phenolo-(Allyloxy)phenol2-(2-Propenyloxy)phenolMFCD000726172-(Allyloxy)-phenolEINECS 214-418-8

Show more names

Oxprenolol 2-Allyloxyphenol Impurity2-Allyloxyphenol,97%(stabilized with MEHQ)

Allyl(o-hydroxyphenyl) ethero-allyloxyphenol2-(prop-2-en-1-yloxy)phenolPhenol, 2-(2-propen-1-yloxy)-Pyrocatechol monoallyl etherAllyl o-Hydroxyphenyl Ether1-hydroxy-2-allyloxybenzeneZ9X3DJH6B2

Database identifiers

CAS: 1126-20-1
PubChem CID: 70772
DTXSID: DTXSID60150111
ChEMBL: CHEMBL2252444
UNII: Z9X3DJH6B2
EC Number: 214-418-8
Nikkaji: J203.365H

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 123

Physicochemical properties

Melting point: 30.2 °C · 30.2 °C
Boiling point: 110 °C · 110 °C(Press: 12 Torr)
Density: 1.091 g/cm3 · 1.091 g/cm3(Temp: 15 °C)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Dichloromethane
form: Oil
pka: 9.72 · 9.72±0.35(Predicted)
color: Pale Yellow
InChI: InChI=1S/C9H10O2/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6,10H,1,7H2
InChIKey: FNEJKCGACRPXBT-UHFFFAOYSA-N
SMILES: C1(O)=CC=CC=C1OCC=C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2909500090 · 2909500090

Safety & regulation

Hazard information

Regulatory InformationPhenol, 2-(2-propenyloxy)-: Does not have an individual approval but may be used under an appropriate group standard

Regulatory information

Regulatory InformationPhenol, 2-(2-propenyloxy)-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

hs_code: 2909500090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2-Allyloxyphenol, isolated from marine actinobacterium, possesses strong antioxidant property and has inhibitory effect towards some bacteria and fungi when applied at concentraions of 0.2-1.75 mg/mL. Used in the preparation of Oxprenolol (O870500), a β-Adrenergic blocker.