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ChemicalBook--->CAS DataBase List--->1745-81-9

1745-81-9

1745-81-9 Structure

1745-81-9 Structure
IdentificationMore
[Name]

2-Allylphenol
[CAS]

1745-81-9
[Synonyms]

2-(2-propenyl)phenol
2-ALLYLPHENOL
ALLYLPHENOL-2
O-ALLYLPHENOL
2-(2-propenyl)-pheno
o-allyl-pheno
Phenol, o-allyl-
2-Allylphenol, 98+%
2-Allylphenol, 99+%
Phenol, 2-(2-propenyl)-
ORTHO-ALLYLPHENOL
2-ALLYL-3-HYDROXYBENZALDEHYDE
[EINECS(EC#)]

217-119-0
[Molecular Formula]

C9H10O
[MDL Number]

MFCD00002250
[Molecular Weight]

134.18
[MOL File]

1745-81-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear colourless to light yellow liquid
[Melting point ]

-6 °C
[Boiling point ]

220 °C (lit.)
[density ]

1.028 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.546(lit.)
[Fp ]

192 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

7 g/L (20°C)
[form ]

Oil
[pka]

pK1: 10.28 (25°C)
[color ]

Colourless
[PH]

6-7 (100g/l, H2O, 20℃)
[Water Solubility ]

7 g/L (20 ºC)
[BRN ]

742121
[InChIKey]

QIRNGVVZBINFMX-UHFFFAOYSA-N
[CAS DataBase Reference]

1745-81-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Phenol, 2-(2-propenyl)-(1745-81-9)
[EPA Substance Registry System]

1745-81-9(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

C,Xi
[Risk Statements ]

R21/22:Harmful in contact with skin and if swallowed .
R34:Causes burns.
R36/38:Irritating to eyes and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S24/25:Avoid contact with skin and eyes .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
[RIDADR ]

UN 2923 8/PG 3
[WGK Germany ]

2
[RTECS ]

SJ3850000
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29071900
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Allylphenol(1745-81-9).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colourless to light yellow liquid
[Uses]

2-Allylphenol is an protected intermediate in the synthesis of metabolites of Diclofenac (D436450), a nonsteroidal anti-inflammatory compound an decycloxygenase (COX) inhibitor.
[Definition]

ChEBI: A member of the class of phenols that is phenol carrying an allyl group at position 2.
[Synthesis Reference(s)]

Synthesis, p. 310, 1981 DOI: 10.1055/s-1981-29431
Tetrahedron Letters, 35, p. 1409, 1994 DOI: 10.1016/S0040-4039(00)76231-9
Spectrum DetailBack Directory
[Spectrum Detail]

2-Allylphenol(1745-81-9)MS
2-Allylphenol(1745-81-9)1HNMR
2-Allylphenol(1745-81-9)13CNMR
2-Allylphenol(1745-81-9)IR1
2-Allylphenol(1745-81-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Allylphenol,99+%(1745-81-9)
[Alfa Aesar]

2-Allylphenol, 98+%(1745-81-9)
[Sigma Aldrich]

1745-81-9(sigmaaldrich)
[TCI AMERICA]

2-Allylphenol,>97.0%(GC)(1745-81-9)
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