4-Isopropenylphenol supplier

Name
4-Isopropenylphenol
EINECS
CAS No. 4286-23-1
Article Data40
CAS DataBase
Density 1.004 g/cm³
Solubility
Melting Point 85℃
Formula C₉H₁₀O
Boiling Point 217.996 °C at 760 mmHg
Molecular Weight 134.178
Flash Point 97.672 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenol,p-isopropenyl- (6CI,7CI,8CI);2-(4-Hydroxyphenyl)propene;4-(1-Methylethenyl)phenol;4-(1-Propen-2-yl)phenol;p-Isopropenylphenol;
PSA 20.23000
LogP 2.42530

Synthetic route

: 80-05-7
BPA

: 4286-23-1
4-isopropenylphenol

Conditions

Conditions	Yield
With sodium hydroxide at 230 - 250℃; under 15 Torr; Pyrolysis;	90%
With potassium superoxide; 18-crown-6 ether In N,N-dimethyl-formamide at 25℃; for 35h;	30%
With sodium hydroxide (heating);
With sodium hydroxide at 230 - 250℃; Pyrolysis;

: 1712-69-2
1-isopropenyl-4-methoxybenzene

: 4286-23-1
4-isopropenylphenol

Conditions

Conditions	Yield
With sodium thioethylate In N,N-dimethyl-formamide for 0.5h; Heating;	89%

: 1779-49-3
Methyltriphenylphosphonium bromide

: 99-93-4
4-Hydroxyacetophenone

: 4286-23-1
4-isopropenylphenol

Conditions

Conditions	Yield
Stage #1: Methyltriphenylphosphonium bromide With sodium hexamethyldisilazane In tetrahydrofuran at 20℃; for 1.5h; Cooling; Stage #2: 4-Hydroxyacetophenone In tetrahydrofuran for 4h;	14%
Stage #1: Methyltriphenylphosphonium bromide With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.75h; Stage #2: 4-Hydroxyacetophenone In tetrahydrofuran at 20℃; for 18h;
Stage #1: Methyltriphenylphosphonium bromide With potassium tert-butylate In tetrahydrofuran at 0℃; for 1h; Inert atmosphere; Stage #2: 4-Hydroxyacetophenone In tetrahydrofuran at 20℃; for 6h; Inert atmosphere;

: 99-89-8
4-Isopropylphenol

: 4286-23-1
4-isopropenylphenol

Conditions

Conditions	Yield
With chromium corundum at 600℃;

: 80-05-7
BPA

A: 4286-23-1
4-isopropenylphenol

B: 108-95-2
phenol

Conditions

Conditions	Yield
at 200 - 280℃; Yield given;
With sulfuric acid In water at 250℃; for 0.5h; pH=2.0; Kinetics; Further Variations:; Reagents; pH-values; Temperatures;
With [Fe(IV)(O)(N-benzyl-N,N',N'-tris(2-pyridylmethyl)-1,2-diaminoethane)](2+) In water; acetonitrile at 24.84℃;

: 80037-90-7
1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yloxoyl radical

: 98-83-9
isopropenylbenzene

A: 4286-23-1
4-isopropenylphenol

B: 93066-52-5
2-phenyl-3-(1,1,3,3-tetramethylisoindolin-2-yloxy)prop-1-ene

C: 97141-97-4
2-phenyl-1-(1,1,3,3-tetramethylisoindolin-2-yloxy)propan-2-ol

D: 97141-93-0
2-phenyl-2-(1,1,3,3-tetramethylisoindolin-2-yloxy)propan-1-ol

Conditions

Conditions	Yield
With 2-(t-butylazo)prop-2-yl hydroperoxide at 60℃; for 6h; Rate constant; Product distribution; investigation of the reaction of hydroxyl radicals with polymerizable olefins by radical trapping technique; rate constants in competition experiments with cyclohexane;
With 2-(t-butylazo)prop-2-yl hydroperoxide at 60℃; for 6h; in sealed vessel;	A 9 % Turnov. B 5 % Turnov. C 3 % Turnov. D 83 % Turnov.

...Expand

: 98-83-9
isopropenylbenzene

: 4286-23-1
4-isopropenylphenol

Conditions

Conditions	Yield
With phosphate buffer; air; 1,4-dihydronicotinamide adenine dinucleotide at 45℃; methane mono-oxygenase from Methylococcus capsulatus (Bath); Yield given;

: 55182-48-4
4-Isopropyliden-2,5-cyclohexadienon

: 4286-23-1
4-isopropenylphenol

Conditions

Conditions	Yield
With acetic acid; triethylamine In chloroform

: 80-05-7
BPA

Fuller's earth: Fuller's earth

A: 4286-23-1
4-isopropenylphenol

B: 108-95-2
phenol

Conditions

Conditions	Yield
at 200 - 230℃;

...Expand

3-<4-hydroxy-phenyl>-glutaconic acid: 3-<4-hydroxy-phenyl>-glutaconic acid

A: 4286-23-1
4-isopropenylphenol

B: 149636-52-2
p-hydroxy-3-methyl-trans-cinnamic acid

Conditions

Conditions	Yield
With water at 150℃;

: 50670-02-5, 57100-28-4
cis-sphagnum acid

: 7732-18-5
water

A: 4286-23-1
4-isopropenylphenol

B: 149636-52-2
p-hydroxy-3-methyl-trans-cinnamic acid

Conditions

Conditions	Yield
at 150℃;

...Expand

3-<4-hydroxy-phenyl>-pentene-(2c?)-dioic acid: 3-<4-hydroxy-phenyl>-pentene-(2c?)-dioic acid

A: 4286-23-1
4-isopropenylphenol

B: 149636-52-2
p-hydroxy-3-methyl-trans-cinnamic acid

Conditions

Conditions	Yield
With water at 150℃;

: 99-93-4
4-Hydroxyacetophenone

: pinacolboratamethylenetriphenylphosphonium iodide

: 4286-23-1
4-isopropenylphenol

Conditions

Conditions	Yield
Stage #1: pinacolboratamethylenetriphenylphosphonium iodide With lithium hexamethyldisilazane In N,N,N,N,N,N-hexamethylphosphoric triamide at 0℃; for 2h; Stage #2: 4-Hydroxyacetophenone In N,N,N,N,N,N-hexamethylphosphoric triamide at -78 - 20℃;	83 % Chromat.

: C9H11O(1+)*HO4S(1-)

: 4286-23-1
4-isopropenylphenol

Conditions

Conditions	Yield
Stage #1: C9H11O(1+)*HO4S(1-) With water cooling; Stage #2: With sodium hydroxide Heating;

: 100-06-1
1-(4-methoxyphenyl)ethanone

: 4286-23-1
4-isopropenylphenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 92 percent / n-BuLi / diethyl ether; hexane / 12 h / Ambient temperature 2: 89 percent / EtSNa / dimethylformamide / 0.5 h / Heating View Scheme

polycarbonate resin: polycarbonate resin

: 108-93-0
cyclohexanol

A: 80-05-7
BPA

B: 98-54-4
para-tert-butylphenol

C: 4286-23-1
4-isopropenylphenol

D: 4427-97-8
dicyclohexyl carbonate

E: 108-94-1
cyclohexanone

F: 110-83-8
cyclohexene

G: 108-95-2
phenol

Conditions

Conditions	Yield
sodium carbonate at 200℃; under 37503.8 Torr; for 1h; Product distribution / selectivity; liquid phase pyrolysis oilized reaction;	A 19.95 %Chromat. B 1.07 %Chromat. C 0.74 %Chromat. D 18.19 %Chromat. E 1.6 %Chromat. F 0.19 %Chromat. G 0.46 %Chromat.

...Expand

: 108-95-2
phenol

: 4286-23-1
4-isopropenylphenol

Conditions

Conditions	Yield
In acetone
In acetone

: 80-05-7
BPA

: 837-08-1
2-[1-(4-hydroxyphenyl)-1-methylethyl]-phenol

A: 4286-23-1
4-isopropenylphenol

B: 108-95-2
phenol

Conditions

Conditions	Yield
sodium hydroxide at 190℃; under 120 Torr; Product distribution / selectivity;

...Expand

: 80-05-7
BPA

A: 4286-23-1
4-isopropenylphenol

B: C9H8O3

C: C9H8O3

D: C15H14O4

E: 79371-66-7
4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]-benzene-1,2-diol

Conditions

Conditions	Yield
With nitrogen doped K2Nb4O11 In water for 6h; Photolysis;

...Expand

4-Isopropenylphenol Specification

The Phenol,4-(1-methylethenyl)-, with the CAS registry number 4286-23-1, is also known as 4-Isopropenylphenol. This chemical's molecular formula is C₉H₁₀O and molecular weight is 134.1751. What's more, its IUPAC name is called 4-(Prop-1-en-2-yl)phenol.

Physical properties about Phenol,4-(1-methylethenyl)- are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 68.21; (6)ACD/BCF (pH 7.4): 67.94; (7)ACD/KOC (pH 5.5): 714.94; (8)ACD/KOC (pH 7.4): 712.12; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 42.33 cm³; (15)Molar Volume: 133.6 cm³; (16)Surface Tension: 35.9 dyne/cm; (17)Density: 1.003 g/cm³; (18)Flash Point: 97.7 °C; (19)Enthalpy of Vaporization: 47.29 kJ/mol; (20)Boiling Point: 218 °C at 760 mmHg; (21)Vapour Pressure: 0.0875 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc(\C(=C)C)cc1
(2) InChI: InChI=1/C9H10O/c1-7(2)8-3-5-9(10)6-4-8/h3-6,10H,1H2,2H3
(3) InChIKey: JAGRUUPXPPLSRX-UHFFFAOYAE

Product Name

4-Isopropenylphenol

Synthetic route

4-Isopropenylphenol Specification

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