2-Allylphenol supplier | CasNO.1745-81-9

Name
2-Allylphenol
EINECS 217-119-0
CAS No. 1745-81-9
Article Data148
CAS DataBase
Density 1.014 g/cm³
Solubility 7 g/L (20 °C) in water
Melting Point -6 °C
Formula C₉H₁₀O
Boiling Point 219.999 °C at 760 mmHg
Molecular Weight 134.178
Flash Point 88.889 °C
Transport Information UN 2923 8/PG 3
Appearance clear colorless to light yellow liquid.
Safety 26-36/37/39-45-24/25-23
Risk Codes 21/22-34-36/38
Molecular Structure
Hazard Symbols Xi,C
Synonyms Phenol,2-(2-propenyl)- (9CI);Phenol, o-allyl- (6CI,8CI);2-(2-Propenyl)phenol;o-(2-Propenyl)phenol;o-Allylphenol;
PSA 20.23000
LogP 2.12070

Synthetic route

: 1746-13-0
allyl phenyl ether

: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
In toluene at 250℃; for 1.75h; Claisen rearrangement; microwave irradiation;	100%
In chlorobenzene at 250℃; for 1.75h; Claisen rearrangement; microwave irradiation;	100%
In N,N-dimethyl-aniline at 250℃; for 1h; Claisen Rearrangement; Inert atmosphere; Microwave irradiation; Sealed tube;	100%

: 18042-43-8
2-allyl-1-(trimethylsiloxy)benzene

: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
With methanol; 1,3-disulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.0666667h; Green chemistry;	98%
With methanol at 20℃; for 0.333333h;	85%

: 59152-49-7
2-(iodomethyl)-2,3-dihydro-1-benzofuran

: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
With dimethylboron bromide; tetra-(n-butyl)ammonium iodide; triethylamine In dichloromethane at 0℃; for 12h;	92%

polyether ether ketone: polyether ether ketone

: 1746-13-0
allyl phenyl ether

: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
In water	87%

: 1354644-30-6
N-(2-allyloxybenzylidene)-2-phenylthiobenzenamine

A: 92-52-4
biphenyl

B: 3411-95-8
2-(benzothiazol-2-yl)phenol

C: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
at 150 - 650℃; under 0.013 Torr; for 0.25h; Pyrolysis;	A 2% B 84% C 9%

...Expand

: 3383-05-9
allyl 2-allylphenyl ether

: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
With aluminium(III) iodide; diisopropyl-carbodiimide In acetonitrile at 80℃; for 18h;	82%

: 73047-40-2
3-bromochroman

: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
In acetonitrile Product distribution; electrochemical reductions of derivatives; 0.1 M Et4NClO4, -2.05 V;	80%
In acetonitrile electrochemical reduction, 0.1M Et4NClO4, -2.05 V;	80%

: 591-87-7
Allyl acetate

: 108-95-2
phenol

A: 1746-13-0
allyl phenyl ether

B: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
With [Ir(1,5-cyclooctadiene)2]PF6 In octane at 120℃; for 20h;	A 80% B 8%

...Expand

: 151950-94-6
1-tert-butyldimethylsilyloxy-2-(2-propenyl)benzene

: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
With copper(ll) bromide In acetonitrile at 20℃; for 3h;	77%

: 51496-94-7
1-allyl-2-(benzyloxy)benzene

: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
With aluminium(III) iodide; diisopropyl-carbodiimide In acetonitrile at 80℃; for 18h;	68%

: 107-05-1
3-chloroprop-1-ene

: 108-95-2
phenol

: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
With copper; copper(II) perchlorate In diethyl ether	65%
With 1.) K; zinc(II) chloride 1.) xylene, 3 h, reflux, 2.) 13 h, reflux; Yield given. Multistep reaction;

: 1746-13-0
allyl phenyl ether

A: 1745-81-9
2-Allylphenol

B: 108-95-2
phenol

Conditions

Conditions	Yield
With C6H10BBr3 In dichloromethane at 20℃; for 0.0833333h; Claisen rearrangement; Inert atmosphere;	A 61% B 12%
With aluminium(III) iodide In carbon disulfide at -70℃; for 3.5h;	A 26% B 4.5%
at 200℃; for 4h; Claisen rearrangement; neat (no solvent);
With tetrabutylammomium bromide at 245℃; for 0.5h; Claisen Rearrangement; Microwave irradiation;

: 1746-13-0
allyl phenyl ether

A: 1746-11-8
2-methyl-2,3-dihydro-1-benzofuran

B: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
With silica gel at 60℃; for 5h;	A 60% B 33%
With silica gel at 60℃; for 5h;	A 60% B 33%
With silica gel at 60℃; for 5h; Product distribution; other allylaryl ethers; variation of reaction time, also in benzene (reflux);	A 60% B 33%

: 95-55-6
2-amino-phenol

: 107-05-1
3-chloroprop-1-ene

A: 1745-81-9
2-Allylphenol

B: 108-95-2
phenol

Conditions

Conditions	Yield
Stage #1: 2-amino-phenol With hydrogenchloride; water; isopentyl nitrite Stage #2: 3-chloroprop-1-ene With ferrous(II) sulfate heptahydrate; dimethyl sulfoxide In water for 0.416667h;	A 54% B n/a

...Expand

: 1746-13-0
allyl phenyl ether

A: 501-92-8
4-(prop-2-enyl)phenol

B: 1745-81-9
2-Allylphenol

C: 108-95-2
phenol

Conditions

Conditions	Yield
With β‐cyclodextrin In water at 25℃; for 0.5h; Irradiation;	A 21.9% B 40.2% C 2.1%
With β‐cyclodextrin In water at 25℃; for 0.5h; Quantum yield; Irradiation; without β-CD, in nitrogen or oxygen atmosphere;	A 21.9% B 40.2% C 2.1%
In methanol Product distribution; Kinetics; Quantum yield; Further Variations:; Solvents; Reagents; photo-Claisen rearrangement; Irradiation;
In butan-1-ol at 35℃; for 0.0833333h; Temperature; Time; Concentration; Claisen Rearrangement; Flow reactor; UV-irradiation;

...Expand

: 1354644-33-9
N-(2-allyloxybenzylidene)-2-phenoxybenzenamine

A: 833-50-1
2-phenylbenzo[d]oxazole

B: 835-64-3
2-(2-Hydroxyphenyl)benzoxazole

C: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
at 130 - 650℃; under 0.01 Torr; for 0.416667h; Pyrolysis;	A 14% B 36% C 6%

...Expand

: 107-05-1
3-chloroprop-1-ene

: 108-95-2
phenol

A: 1746-13-0
allyl phenyl ether

B: 3383-05-9
allyl 2-allylphenyl ether

C: 68714-32-9
1-allyl-4-(allyloxy)benzene

D: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
With potassium hydroxide; phthalocyanine VII at 180℃; for 2h; Alkylation; Further byproducts given;	A 35% B 10% C 5% D 20%
With potassium hydroxide; phthalocyanine III at 180℃; for 2h; Alkylation;	A 20% B 11% C 4% D 15%

...Expand

: 1354644-23-7
N-(2-allyloxybenzylidene)-2-methylbenzenamine

A: 4749-47-7
2-(1H-indol-2-yl)phenol

B: 3246-73-9
N-salicylidene-o-methylaniline

C: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
at 120 - 650℃; under 0.02 Torr; for 0.333333h; Pyrolysis;	A 35% B 7% C 5%

...Expand

: 2-allylphenyl dodecylether

: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
With aluminium(III) iodide; diisopropyl-carbodiimide In acetonitrile at 80℃; for 18h;	31%

: 10575-90-3
N-nitroso-N-cyclopropylurea

: 108-95-2
phenol

A: 4-(cyclopropyldiazenyl)phenol

B: 2-allyl-4-(cyclopropyldiazenyl)phenol

C: 1746-13-0
allyl phenyl ether

D: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
With caesium carbonate In dichloromethane at 5 - 8℃; for 0.833333h; Further byproducts given;	A 17% B 12% C 5.5% D 6%

...Expand

: 941-69-5
N-phenyl-maleimide

: 2,4,6-tris-(2-allylphenoxy)-1,3,5-triazine

A: 1745-81-9
2-Allylphenol

B: 3-(3-(2-hydroxyphenyl)prop-2-enyl)-N-phenyl-2,5-pyrrolidinedione

C: N-phenyl-3-(3-(2-(4,6-di(2-(prop-2-enyl)phenoxy)-1,3,5-triazin-2-yloxy)phenyl)prop-2-enyl)-2,5-pyrrolidinedione

D: (2-(4-(2-(prop-2-enyl)phenoxy)-1,3,5-triazine-2,6-diyl)dioxy)bis-N-phenyl-3-(3-phenylprop-2-enyl)-2,5-pyrrolidinedione

Conditions

Conditions	Yield
With hydroquinone In various solvent(s) at 200℃; for 24h; Addition;	A 10% B 3.3% C 7% D 0.3%

...Expand

: 91-22-5
quinoline

: 71318-55-3
4-hydroxy-3-allyl-benzoic acid

: 1745-81-9
2-Allylphenol

: 101-84-8
diphenylether

: 1746-13-0
allyl phenyl ether

: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
at 190℃; Kinetics;

: 111-90-0
ethoxyethoxyethanol

: 1746-13-0
allyl phenyl ether

: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
at 200℃; Kinetics;

: 32704-22-6
2-allyl-phenylamine

: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
With sulfuric acid; sodium nitrite anschliessend Erwaermen;

: 59086-52-1
2-allyloxybenzoic acid

: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
With 2,3-Dimethylaniline

: 59086-52-1
2-allyloxybenzoic acid

A: 42729-96-4
2-Hydroxy-3-(2-propenyl)-benzoesaeure

B: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
at 170 - 235℃;
at 180℃;

: 42729-96-4
2-Hydroxy-3-(2-propenyl)-benzoesaeure

: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
With 2,3-Dimethylaniline
at 300℃;

: 71318-55-3
4-hydroxy-3-allyl-benzoic acid

: 1745-81-9
2-Allylphenol

Conditions

Conditions	Yield
With quinoline beim Erhitzen bis zum Sieden;

: 1745-81-9
2-Allylphenol

: 644-35-9
5-propylphenol

Conditions

Conditions	Yield
With hydrazine hydrate In ethanol for 14h; Solvent; Reflux;	100%
With ethanol; lithium; nickel dichloride; 4,4'-di-tert-butylbiphenyl In tetrahydrofuran at 20℃; for 12h;	99%
With hydrogen; NiCl2-Li-[poly(2-vinyl-naphthalene)-co-(divinylbenzene)] In tetrahydrofuran at 20℃; under 760.051 Torr; for 1.5h;	98%

: 1745-81-9
2-Allylphenol

: 6380-21-8
2-(prop-1-enyl)phenol

Conditions

Conditions	Yield
tris(triphenylphosphine)ruthenium(II) chloride at 100℃; for 1h;	100%
With potassium tert-butylate In tetrahydrofuran at 20℃; for 12h;	94%
With [1,3-Mes2-(N2C3H5)]Cl2(PCy3)Ru=CHPh In methanol at 60℃; for 3h;	92%

: 18162-48-6
tert-butyldimethylsilyl chloride

: 1745-81-9
2-Allylphenol

: 151950-94-6
1-tert-butyldimethylsilyloxy-2-(2-propenyl)benzene

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 23℃;	100%
With 1H-imidazole In dichloromethane at 20℃; for 18h; Inert atmosphere;	99%
With 1H-imidazole In dichloromethane at 20℃; Schlenk technique;	99%

: 1745-81-9
2-Allylphenol

: 106-89-8
epichlorohydrin

: 49716-04-3
1-(2-allyl-phenoxy)-3-chloro-propan-2-ol

Conditions

Conditions	Yield
With pyridine In chloroform; water; phenol	100%
With piperidine Heating;

: 1314092-54-0
(2S)-glycidyl-3-nitrobenzenesulfonate

: 1745-81-9
2-Allylphenol

: 81840-59-7
(S)1-(2’-allylphenoxy)-2,3-epoxypropane

Conditions

Conditions	Yield
Stage #1: o-Allylphenol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 0.5h; Inert atmosphere; Stage #2: (2S)-glycidyl-3-nitrobenzenesulfonate In N,N-dimethyl-formamide; mineral oil at 60℃;	100%

: 98-59-9
p-toluenesulfonyl chloride

: 1745-81-9
2-Allylphenol

: 17404-84-1
2-allylphenyl tosylate

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran; water at 0 - 20℃; for 2h; Reagent/catalyst; Green chemistry;	100%
With 1,4-diaza-bicyclo[2.2.2]octane In dichloromethane

: 1745-81-9
2-Allylphenol

: 2-[(trichloro-λ4-tellanyl)methyl]-2,3-dihydro-1-benzofuran

Conditions

Conditions	Yield
With tellurium tetrachloride In dichloromethane at 39 - 40℃; for 3h; Reflux;	100%
With tellurium tetrachloride In tetrachloromethane for 6h; Reflux;	90%

: 1745-81-9
2-Allylphenol

: 2-[(tribromo-λ4-tellanyl)methyl]-2,3-dihydro-1-benzofuran

Conditions

Conditions	Yield
With tellurium(IV) tetrabromide In acetonitrile at 20 - 25℃; for 20h;	100%
With tellurium(IV) tetrabromide In acetonitrile at 20 - 25℃; for 20h;	100%
With tellurium(IV) tetrabromide In acetonitrile at 20℃; for 24h;	100%

: 108-24-7
acetic anhydride

: 1745-81-9
2-Allylphenol

: 4125-54-6
2-allylphenyl acetate

Conditions

Conditions	Yield
With iodine at 25℃; for 0.0166667h;	99%
With triethylamine at 20℃; for 25h;	99%
With dmap In dichloromethane at 20℃; for 2.5h;	96%

: 1745-81-9
2-Allylphenol

: 1746-11-8
2-methyl-2,3-dihydro-1-benzofuran

Conditions

Conditions	Yield
With zeolite BEA/37.5 at 39.84℃; for 1h; Catalytic behavior; Reagent/catalyst; Time; Temperature;	99%
With [Nd(acetonitrile)9][AlCl4]3*acetonitrile In chloroform at 65℃; for 24h; Reagent/catalyst; Solvent; Inert atmosphere; Schlenk technique; regioselective reaction;	97%
With aluminium(III) triflate In nitromethane at 101℃; for 3h;	93%

: 105-36-2
ethyl bromoacetate

: 1745-81-9
2-Allylphenol

: 181027-13-4
2-(prop-2-enylphenoxy)-ethanoic acid ethyl ester

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In acetone for 16h; Heating;	99%
With sodium hydride 1.) DMF; Yield given. Multistep reaction;
With caesium carbonate In N,N-dimethyl-formamide

: 6186-91-0
3-chloro-2-fluoropropene

: 1745-81-9
2-Allylphenol

: 1-allyl-(2-fluorallyloxy)benzene

Conditions

Conditions	Yield
Stage #1: o-Allylphenol With sodium hexamethyldisilazane In tetrahydrofuran for 0.5h; Stage #2: 3-chloro-2-fluoropropene In N,N-dimethyl-formamide at 20℃; for 12h;	99%

: 563-76-8
α-bromopropionyl bromide

: 1745-81-9
2-Allylphenol

: 2-bromo-propionic acid 2-allyl-phenyl ester

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 18h;	99%

: 1745-81-9
2-Allylphenol

: 24454-25-9
3-(2-hydroxyphenyl)propane-1,2-diol

Conditions

Conditions	Yield
With osmium(VIII) oxide; N-methyl-2-indolinone In water; acetone at 20℃;	99%
Multi-step reaction with 3 steps 1: 92 percent / pyridine / 2 h / 100 °C 2: 73 percent / m-chloroperbenzoic acid / CH2Cl2 / 18 h / 20 °C 3: 70 percent / aq. sodium hydroxide / 0.5 h / Heating View Scheme

: 1864-94-4
phenyl formate

: 1745-81-9
2-Allylphenol

: 4374-67-8
3-ethyl-3H-benzofuran-2-one

Conditions

Conditions	Yield
With formic acid; palladium diacetate; triphenylphosphine In 1,3,5-trimethyl-benzene at 90℃; for 16h;	99%

: 542-69-8
1-iodo-butane

: 201230-82-2
carbon monoxide

: 1745-81-9
2-Allylphenol

: 35151-20-3
Valeriansaeure-<2-allyl-phenylester>

Conditions

Conditions	Yield
With rhodium(III) chloride; 1,3-bis-(diphenylphosphino)propane; sodium carbonate; sodium bromide In 1,4-dioxane at 120℃; under 750.075 Torr; for 24h; Inert atmosphere; chemoselective reaction;	99%

...Expand

: 3234-28-4
1,2-epoxytetradecane

: 101-90-6
resorcinol diglycidyl ether

: 1745-81-9
2-Allylphenol

: C58H90O8

Conditions

Conditions	Yield
Stage #1: resorcinol diglycidyl ether; o-Allylphenol With potassium methanolate at 110℃; for 1.7h; Inert atmosphere; Stage #2: 1,2-epoxytetradecane at 120℃; for 21.4333h; Inert atmosphere;	98.1%

...Expand

: 999-97-3
1,1,1,3,3,3-hexamethyl-disilazane

: 1745-81-9
2-Allylphenol

: 18042-43-8
2-allyl-1-(trimethylsiloxy)benzene

Conditions

Conditions	Yield
With 3-methyl-1-sulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.0333333h; Neat (no solvent);	98%
With 1,3-disulfonic acid imidazolium hydrogen sulfate In neat (no solvent) at 20℃; for 0.0333333h; Green chemistry;	98%
With succinimide-N-sulfonic acid In acetonitrile at 20℃; for 0.0333333h; chemoselective reaction;	95%

: 1666-13-3
diphenyl diselenide

: 1745-81-9
2-Allylphenol

: 66558-11-0
2,3-dihydro-2-<(phenylseleno)methyl>benzofuran

Conditions

Conditions	Yield
With (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile In acetonitrile at 20℃; for 2h; Irradiation; Green chemistry;	98%
With ammonium persulfate In acetonitrile at 70℃; for 12h;	77%
With tetrabutylammonium perchlorate In acetonitrile at 20℃; for 1.5h; Electrochemical reaction; Green chemistry;	55%

: 35787-71-4
thianthrene cation radical perchlorate

: 1745-81-9
2-Allylphenol

A: 2362-50-7
thianthrene-5-oxide

B: 139656-67-0
5-(4-hydroxy-3-allylphenyl)thianthreniumyl perchlorate

C: 92-85-3
Thianthrene

Conditions

Conditions	Yield
In acetonitrile	A 5.4% B 98% C 40%

...Expand

: 1745-81-9
2-Allylphenol

: 24844-28-8, 59981-81-6, 111268-65-6, 123619-78-3, 123619-79-4, 21895-83-0
2-(prop-2-en-1-yl)cyclohexan-1-ol

Conditions

Conditions	Yield
With nickel(II) oxide; hydrogen; palladium In hexane at 100℃; under 22502.3 Torr; for 16h;	98%

: 124-63-0
methanesulfonyl chloride

: 1745-81-9
2-Allylphenol

: 2-allylphenyl methanesulfonate

Conditions

Conditions	Yield
With triethylamine In ethyl acetate at 0 - 20℃; for 0.166667h; Green chemistry;	98%
With pyridine In dichloromethane	52.6 mg

: 7648-30-8
ethyl 2,2-difluoro-2-iodoacetate

: 1745-81-9
2-Allylphenol

: ethyl 3-(2,3-dihydrobenzofuran-2-yl)-2,2-difluoropropanoate

Conditions

Conditions	Yield
With N,N'-dimethylpiperazine In 1,4-dioxane at 80℃; Inert atmosphere; Schlenk technique;	98%
With 1,4-diaza-bicyclo[2.2.2]octane; fac-tris(2-phenylpyridinato-N,C2')iridium(III) In acetonitrile at 20℃; for 12h; Reagent/catalyst; Solvent; Schlenk technique; Irradiation; Inert atmosphere;	90%
With 1,4-diaza-bicyclo[2.2.2]octane; tris[2-phenylpyridinato-C2,N]iridium(III) In acetonitrile at 25℃; for 12h; Schlenk technique; Irradiation; Inert atmosphere;	90%

: 24424-99-5
di-tert-butyl dicarbonate

: 1745-81-9
2-Allylphenol

: 2-allylphenyl tert-butyl carbonate

Conditions

Conditions	Yield
With dmap In dichloromethane at 0 - 20℃; for 0.333333h;	98%

: 100-44-7
benzyl chloride

: 1745-81-9
2-Allylphenol

: 51496-94-7
1-allyl-2-(benzyloxy)benzene

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 80℃; for 18h;	98%

: 591-87-7
Allyl acetate

: 1745-81-9
2-Allylphenol

: 3383-05-9
allyl 2-allylphenyl ether

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; potassium carbonate; triphenylphosphine In water at 85 - 105℃; for 16h; Inert atmosphere;	98%
With 5%-palladium/activated carbon; potassium carbonate; triphenylphosphine In water at 85 - 105℃; for 4h; Inert atmosphere;	98%

: 2365-48-2
Methyl thioglycolate

: 1745-81-9
2-Allylphenol

: methyl 2-{[3-(2-hydroxyphenyl)propyl]thio}acetate

Conditions

Conditions	Yield
With benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one In cyclohexane at 20℃; for 1h; Inert atmosphere; Sealed tube; Irradiation;	98%

: 101-90-6
resorcinol diglycidyl ether

: 1745-81-9
2-Allylphenol

: C30H34O6

Conditions

Conditions	Yield
With potassium methanolate at 110 - 123℃; for 18.3h; Inert atmosphere;	97.1%

2-Allylphenol Specification

1.Introduction of 2-Allylphenol

The 2-Allylphenol, with the CAS registry number 1745-81-9, is also known as o-Allylphenol. It belongs to the product categories of Benzene Derivatives; Organic Building Blocks; Oxygen Compounds; Phenols. Its EINECS registry number is 217-119-0. This chemical's molecular formula is C₉H₁₀O and molecular weight is 134.18. What's more, its IUPAC name is called 2-Prop-2-enylphenol. It should be stored in a cool, dry and well-ventilated place.

2.Physical properties about 2-Allylphenol

(1)ACD/LogP: 2.441; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 42.20; (6)ACD/BCF (pH 7.4): 42.15; (7)ACD/KOC (pH 5.5): 507.00; (8)ACD/KOC (pH 7.4): 506.37; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 42.042 cm³; (15)Molar Volume: 132.281 cm³; (16)Polarizability: 16.667×10^-24cm³; (17)Surface Tension: 37.650 dyne/cm; (18)Density: 1.014 g/cm³; (19)Flash Point: 88.889 °C; (20)Enthalpy of Vaporization: 47.5 kJ/mol; (21)Boiling Point: 219.999 °C at 760 mmHg; (22)Vapour Pressure: 0.078 mmHg at 25 °C.

3.Structure descriptors of 2-Allylphenol

(1) SMILES: Oc1ccccc1C/C=C
(2) InChI: InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2
(3) InChIKey: QIRNGVVZBINFMX-UHFFFAOYSA-N

4.Preparation of 2-Allylphenol

The 2-Allylphenol can be prepared by allyloxy-benzene. This reaction needs reagent 1,2-bis(3-chloro-2-hydroxy-5-methylbenzyl)benzene and solvent CH₂Cl₂ at temperature of 20 °C. The reaction is rearrangement reaction. The yield is 92 %.

2-Allylphenol can be prepared by allyloxy-benzene.

5. Uses of 2-Allylphenol

(1) it is used in organic synthesis; (2) it is used to produce other chemicals. For example, it can react with diazomethane to get 2-allyl-anisole. The reaction occurs with solvents diethyl ether and methanol at temperature of 0 °C. The yield is 45 %.

2-Allylpheno can react with diazomethane to get 2-allyl-anisole.

6.Safety information of 2-Allylphenol

This chemical may destroy living tissue on contact and may cause inflammation to the skin or other mucous membranes. It is harmful in contact with skin and if swallowed and it may cause burns. In addition, it is irritating to eyes and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. You can not breathe the gas/fumes/vapour/spray and should avoid contacting with skin and eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

Product Name

2-Allylphenol

Synthetic route

2-Allylphenol Specification

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