4-Isopropylbenzyl alcohol supplier

Name
4-ISOPROPYLBENZYL ALCOHOL
EINECS 208-640-4
CAS No. 536-60-7
Article Data102
CAS DataBase
Density 0.979 g/cm³
Solubility Slightly soluble in water and miscible with ethanol and ethyl ether
Melting Point 28 °C
Formula C₁₀H₁₄O
Boiling Point 249 °C at 760 mmHg
Molecular Weight 150.221
Flash Point 106 °C
Transport Information
Appearance clear colourless to slightly yellow liquid
Safety 26-36
Risk Codes 22-38-36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms p-Cymen-7-ol(7CI,8CI);(4-Isopropylphenyl)methanol;4-Isopropylbenzyl alcohol;Cumicalcohol;Cumin alcohol;Cuminic alcohol;Cuminol;Cuminyl alcohol;Cumylalcohol;NSC 15672;p-Isopropylbenzyl alcohol;
PSA 20.23000
LogP 2.30230

Synthetic route

: 71700-48-6
4-iso-propylbenzyl trimethylsilyl ether

: 536-60-7
cuminol

Conditions

Conditions	Yield
With Nafion-H(R); silica gel In hexane at 20℃; for 0.333333h;	98%
With methanol; 1,3-disulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.0666667h; Green chemistry;	97%
With poly (ethylene glycol)-sulfonated sodium montmorillonite nanocomposite In methanol at 20℃; for 0.0166667h;	96%
With methanol; vanadium hydrogen sulfate at 20℃; for 0.0166667h;	90%
With Nanoporous Na+-Montmorillonite Perchloric Acid In ethanol at 20℃; for 0.0333333h;	87%

: 80041-89-0
isopropylboronic acid

: 873-75-6
4-bromobenzenemethanol

: 536-60-7
cuminol

Conditions

Conditions	Yield
Stage #1: 4-bromobenzenemethanol With C44H35BrN2O2P2Pd In toluene at 20℃; for 0.5h; Suzuki-Miyaura Coupling; Inert atmosphere; Irradiation; Stage #2: isopropylboronic acid With potassium phosphate In water at 100℃; for 48h; Suzuki-Miyaura Coupling; Inert atmosphere;	98%

: 122-03-2
(4-isopropylbenzaldehyde)

: 536-60-7
cuminol

Conditions

Conditions	Yield
With sodium tetrahydroborate In methanol at 0℃; Inert atmosphere;	97%
With methanol; sodium tetrahydroborate at 0℃; for 0.5h;	97.3%
With hydrogen In water at 20℃; under 760.051 Torr; for 10h; Green chemistry; chemoselective reaction;	96%

: tert-butyl-(4-isopropyl-benzyloxy)-dimethyl-silane

: 536-60-7
cuminol

Conditions

Conditions	Yield
With N-iodo-succinimide In methanol at 20℃; for 24h;	96%
sulfonic acid functionalized nanoporous silica In methanol at 35℃; for 1.5h;	95%
With methanol at 20℃; for 2h;	92%

: 536-59-4
perillol

: 536-60-7
cuminol

Conditions

Conditions	Yield
With cis-Octadecenoic acid; palladium on activated charcoal In cyclohexane at 110℃; for 2h; Temperature;	95%
With 5 weight% palladium(0) nanoparticles supported on mesoporous natural phosphate In neat (no solvent) for 24h; Reflux;	91%

: 2-((4-isopropylbenzyl)oxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

: 536-60-7
cuminol

Conditions

Conditions	Yield
With silica gel In methanol for 4h; Reflux;	91%

: 1058648-64-8
4-iso-propyl-1-[(ethoxymethoxy)methyl]benzene

: 536-60-7
cuminol

Conditions

Conditions	Yield
phosphotungstic acid In ethanol for 5h; Heating;	83%

: 1058648-60-4
4-Me2CHC6H4CH2OMOM

: 536-60-7
cuminol

Conditions

Conditions	Yield
phosphotungstic acid In ethanol for 5.5h; Heating;	81%

: 73789-86-3
4-i-propylbenzyl bromide

A: 122-03-2
(4-isopropylbenzaldehyde)

B: 536-60-7
cuminol

Conditions

Conditions	Yield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen In water for 4h; Reflux;	A 19% B 76%

: 73789-86-3
4-i-propylbenzyl bromide

: 536-60-7
cuminol

Conditions

Conditions	Yield
With oxygen; eosin y In dimethyl sulfoxide at 25℃; for 12h; Irradiation;	76%

: 99-87-6
4-methylisopropylbenzene

A: 1197-01-9
p-cymene-8-ol

B: 536-60-7
cuminol

Conditions

Conditions	Yield
With ferredoxin reductase; [2Fe-2S] ferredoxin; cytochrome P450 101B1 enzyme from Novosphingobium aromaticivorans DSM12444; oxygen; NADH; bovine liver catalase In aq. buffer at 30℃; pH=7.4; Catalytic behavior; Kinetics; Enzymatic reaction;	A 25% B 75%
With lithium aluminium tetrahydride; oxygen; dibenzoyl peroxide 1.) 125 deg C; Multistep reaction. Title compound not separated from byproducts;
With lithium aluminium tetrahydride; 2,2'-azobis(isobutyronitrile); oxygen Product distribution; multistep reaction: 1) 90 deg C, 2) ether, 30 min, reflux; obj. of study: autoxidation, relative reaction rate;	A 84.4 % Chromat. B 15.6 % Chromat.
With NADPH In dimethyl sulfoxide at 30℃; pH=7.4; Product distribution; Further Variations:; Reagents;	A 76 % Chromat. B 2 % Chromat.
With ferredoxin reductase; ferredoxin; P450 monooxygenase CYP101B1 from a Novosphingobium bacterium, wild type; NADH; bovine liver catalase In aq. buffer at 30℃; pH=7.4; Kinetics; Reagent/catalyst; Enzymatic reaction; regioselective reaction;

: 59230-57-8
4-(i-propyl)benzyl acetate

A: 146689-61-4
4,4'-(oxybis(methylene))bis(isopropylbenzene)

B: 536-60-7
cuminol

Conditions

Conditions	Yield
With sodium hydroxide In methanol; water for 3h; Heating;	A 24% B 72%

: 873-75-6
4-bromobenzenemethanol

: 1888-75-1
isopropyllithium

: 536-60-7
cuminol

Conditions

Conditions	Yield
With bis(tri-t-butylphosphine)palladium(0) In toluene at 20℃; for 1h;	61%

: 99-87-6
4-methylisopropylbenzene

A: 69897-58-1
2-(4-isopropylbenzyl)-1,4-benzoquinone

B: 81036-81-9
4-(2-hydroxy-2-propyl)benzene-1-carbaldehyde

C: 122-03-2
(4-isopropylbenzaldehyde)

D: 536-60-7
cuminol

Conditions

Conditions	Yield
With sodium persulfate; sulfuric acid; silver nitrate; p-benzoquinone In water at 60℃; for 0.5h; Further byproducts given;	A 45% B 10% C 20% D 5%

...Expand

: 99-87-6
4-methylisopropylbenzene

: 106-51-4
p-benzoquinone

A: 69897-58-1
2-(4-isopropylbenzyl)-1,4-benzoquinone

B: 81036-81-9
4-(2-hydroxy-2-propyl)benzene-1-carbaldehyde

C: 122-03-2
(4-isopropylbenzaldehyde)

D: 536-60-7
cuminol

Conditions

Conditions	Yield
With sodium persulfate; sulfuric acid; silver nitrate In water at 60℃; for 0.5h; Further byproducts given;	A 45% B 10% C 20% D 5%

...Expand

: 35670-95-2, 104320-46-9, 105815-51-8
(1R,2S,4S,6R)-7,7-dimethyl-3-oxabicyclo[4.1.1.02.4]octane-2-methanol

A: (1R)-3-(hydroxymethyl)-2,2-dimethylcyclopent-3-ene-1-acetaldehyde

B: 536-60-7
cuminol

Conditions

Conditions	Yield
With askanite-bentonite clay In dichloromethane at 20℃; for 0.666667h;	A 27% B 16%

: 19894-97-4
(1R)-Myrtenol

A: 19894-98-5
6,6-dimethyl-2-methylene-bicyclo[3.1.1]heptan-3-ol

B: 536-59-4, 18457-55-1
(-)-perillyl alcohol

C: 536-60-7
cuminol

Conditions

Conditions	Yield
With askanite-bentonite clay In dichloromethane at 20℃; for 1h;	A 9% B 12% C 6%

...Expand

: 50-00-0
formaldehyd

: 18620-03-6
4-isopropylphenylmagnesium bromide

: 536-60-7
cuminol

: 50-00-0
formaldehyd

: 4-isopropyl-phenyl magnesium (1+); bromide

: 536-60-7
cuminol

: 20185-55-1
p-isopropylbenzoic acid methyl ester

A: 536-66-3
4-Isopropylbenzoic acid

B: 536-60-7
cuminol

Conditions

Conditions	Yield
With methanol; copper oxide-chromium oxide barium oxide; hydrogen at 155 - 160℃; under 220652 - 294203 Torr;

: 405506-94-7
(4-isopropylbenzyl)magnesium chloride

: 536-60-7
cuminol

Conditions

Conditions	Yield
With diethyl ether; oxygen

: 122-03-2
(4-isopropylbenzaldehyde)

A: 536-66-3
4-Isopropylbenzoic acid

B: 536-60-7
cuminol

Conditions

Conditions	Yield
With potassium carbonate

: 122-03-2
(4-isopropylbenzaldehyde)

A: 4395-73-7
4-isopropylbenzylamine

B: 536-60-7
cuminol

Conditions

Conditions	Yield
With ammonia; nickel at 60℃; under 66195.7 Torr; Hydrogenation;

: 2051-18-5
4-isopropylbenzyl chloride

: 536-60-7
cuminol

Conditions

Conditions	Yield
With potassium carbonate; acetone
Multi-step reaction with 2 steps 1: 55.7 percent / triethylamine / ethyl acetate / Heating 2: 72 percent / sodium hydroxide / methanol; H2O / 3 h / Heating View Scheme

: 20185-55-1
p-isopropylbenzoic acid methyl ester

: 536-60-7
cuminol

Conditions

Conditions	Yield
With bis(cyclopentadienyl)titanium dichloride; sodium In benzene

: 99-87-6
4-methylisopropylbenzene

A: 1197-01-9
p-cymene-8-ol

B: 3077-71-2
8-hydroperoxy-p-cymene

C: 95543-77-4
4-isopropylbenzyl nitrate

D: 122-00-9
para-methylacetophenone

E: 122-03-2
(4-isopropylbenzaldehyde)

F: 536-60-7
cuminol

Conditions

Conditions	Yield
With oxygen In acetonitrile for 5h; photochemical autooxidation;	A n/a B n/a C 9 % Spectr. D n/a E 31 % Spectr. F 9 % Spectr.

...Expand

: 99-87-6
4-methylisopropylbenzene

A: 5699-45-6
4-isopropyl-benzyl hydroperoxide

B: 95543-77-4
4-isopropylbenzyl nitrate

C: 122-03-2
(4-isopropylbenzaldehyde)

D: 536-60-7
cuminol

Conditions

Conditions	Yield
With oxygen; ammonium cerium(IV) nitrate In acetonitrile for 5h; Ambient temperature; Irradiation; Further byproducts given. Title compound not separated from byproducts;	A 6 % Spectr. B 9 % Spectr. C 31 % Spectr. D 9 % Spectr.

...Expand

: 99-87-6
4-methylisopropylbenzene

: 536-60-7
cuminol

Conditions

Conditions	Yield
Yield given. Multistep reaction;
Multi-step reaction with 3 steps 1: N-methyl-N,N,N-tributylammonium methyl sulfate / 57 °C / Electrochemical reaction 2: water / 2 h / Industry scale; Reflux 3: hydrogen / 24 h / 180 °C / 150015 Torr View Scheme
With p-cymene methyl hydroxylase; NADH at 25℃; for 2h; pH=7; aq. phosphate buffer; Enzymatic reaction;

: 99-87-6
4-methylisopropylbenzene

A: 536-50-5
CH3C6H4CH(CH3)OH

B: 1197-01-9
p-cymene-8-ol

C: 536-60-7
cuminol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; oxygen; cobalt(II) stearate Product distribution; multistep reaction; other p-dialkylbenzenes; var. catalysts, solvents and temperatures;	A n/a B 61 % Chromat. C 17 % Chromat.

...Expand

: 99-87-6
4-methylisopropylbenzene

A: 1197-01-9
p-cymene-8-ol

B: 4371-50-0
para-cymen-9-ol

C: 536-60-7
cuminol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; Perbenzoic acid Mechanism; Product distribution; 2.) ether, 30 min, reflux; study of the regioselectivity of autoxidation by reduction of the corresponding oxidation-mixture;

...Expand

: 536-60-7
cuminol

: 122-03-2
(4-isopropylbenzaldehyde)

Conditions

Conditions	Yield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen In dichloromethane; water under 760.051 Torr; for 2h; Green chemistry;	100%
With dmap; C25H30F17N5O4S(1-)*K(1+); oxygen; copper(II) sulfate In water at 25℃; for 2h; chemoselective reaction;	99%
With titanium(IV) oxide; oxygen at 29.84℃; under 760.051 Torr; for 6h; Sealed tube; Irradiation;	99%

: 536-60-7
cuminol

: 693-13-0
diisopropyl-carbodiimide

: C17H28N2O

Conditions

Conditions	Yield
With copper(II) bis(trifluoromethanesulfonate) at 100℃; for 0.0833333h; Microwave irradiation;	100%

: 536-60-7
cuminol

: 269409-70-3
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

: C22H29BO3

Conditions

Conditions	Yield
With di-tert-butyl-diazodicarboxylate In dichloromethane at 20℃; for 18h;	100%
With di-tert-butyl-diazodicarboxylate In dichloromethane at 20℃; for 18h;	100%

: 766-11-0
5-bromo-2-fluoropyridine

: 536-60-7
cuminol

: C15H16BrNO

Conditions

Conditions	Yield
Stage #1: cuminol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 1h; Stage #2: 5-bromo-2-fluoropyridine In N,N-dimethyl-formamide; mineral oil at 20℃; for 72h;	100%
Stage #1: cuminol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 1h; Stage #2: 5-bromo-2-fluoropyridine In N,N-dimethyl-formamide; mineral oil at 20℃; for 72h;	100%

: 617-86-7
triethylsilane

: 536-60-7
cuminol

: 53172-95-5
triethyl((4-isopropylbenzyl)oxy)silane

Conditions

Conditions	Yield
With C23H26IrN2(1+)*C32H12BF24(1-) In 1,2-dichloro-ethane for 0.0166667h; Catalytic behavior; Schlenk technique; Inert atmosphere;	100%

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

: 536-60-7
cuminol

: 71700-48-6
4-iso-propylbenzyl trimethylsilyl ether

Conditions

Conditions	Yield
With polyvinylpolypyrrolidonium tribromide In acetonitrile at 20℃; for 0.0833333h;	99%
iodine In dichloromethane at 20℃; for 0.0333333h; Substitution;	98%
With L-Aspartic acid In acetonitrile at 20℃; for 0.1h;	98%

: 62-53-3
aniline

: 536-60-7
cuminol

: 81308-22-7
N-(4-isopropylbenzyl)benzenamine

Conditions

Conditions	Yield
With Co2Rh2 nanoparticles immobilized on charcoal at 100℃; for 24h; Inert atmosphere; Schlenk technique; Green chemistry; chemoselective reaction;	99%
With 1,10-Phenanthroline; potassium tert-butylate; nickel dibromide In toluene at 130℃; for 48h; chemoselective reaction;	84%
With potassium carbonate at 160℃; for 12h;	82%

: 98-85-1, 13323-81-4
1-Phenylethanol

: 536-60-7
cuminol

: 36336-80-8
3-(4-isopropylphenyl)-1-phenylprop-2-en-1-one

Conditions

Conditions	Yield
With oxygen; lithium hydroxide In water; tert-butyl alcohol at 70℃;	99%

: 536-60-7
cuminol

: 1-(iodomethyl)-4-isopropylbenzene

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate; hydrogen; iodine; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In 1,2-dichloro-ethane at 20℃; under 22502.3 Torr; Autoclave; Schlenk technique;	99%

: 536-60-7
cuminol

: 73789-86-3
4-i-propylbenzyl bromide

Conditions

Conditions	Yield
With 1,1,1,2,2,2-hexamethyldisilane In chloroform for 1.5h; Reflux;	98%
Stage #1: cuminol With copper(l) chloride; diisopropyl-carbodiimide at 20℃; for 0.5h; Stage #2: With N-Bromosuccinimide In 1,2-dichloro-ethane at 80℃; for 2h;	85%
With phosphorus tribromide In diethyl ether at 0℃; for 0.0833333h;	84%

: 536-60-7
cuminol

: 536-66-3
4-Isopropylbenzoic acid

Conditions

Conditions	Yield
With diethylene glycol dimethyl ether at 70℃; for 0.5h; Sonication;	98%
With methyl 3,5-bis((1H-1,2,4-triazol-1-yl)methyl)benzoate; oxygen; sodium acetate; nickel dibromide at 120℃; under 760.051 Torr; for 72h;	94%
With C14H14N6O2; oxygen; sodium acetate; palladium diacetate at 120℃; under 760.051 Torr; for 72h;	94%

: 127-19-5
N,N-dimethyl acetamide

: 536-60-7
cuminol

: N,N-dimethyl-3-(4-isopropylphenyl)propanamide

Conditions

Conditions	Yield
With tri-tert-butyl phosphine; potassium tert-butylate; nickel diacetate In 1,4-dioxane; toluene at 80℃; for 12h; Inert atmosphere; Glovebox; Schlenk technique;	98%

: 108-24-7
acetic anhydride

: 536-60-7
cuminol

: 59230-57-8
4-(i-propyl)benzyl acetate

Conditions

Conditions	Yield
With decamolybdodivanadogermanic acid nanoparticles at 24.84℃; for 0.0583333h; Neat (no solvent);	97%
With polyvinylpolypyrrolidone-bound boron trifluoride In acetonitrile at 20℃; for 1.5h;	97%
With lithium trifluoromethanesulfonate at 20℃; for 13h;	96%

: 62-53-3
aniline

: 536-60-7
cuminol

: 1428343-24-1
N,N-bis(4-isopropylbenzyl)aniline

Conditions

Conditions	Yield
With Co2Rh2 nanoparticles immobilized on charcoal at 140℃; for 24h; Inert atmosphere; Schlenk technique; Green chemistry; chemoselective reaction;	97%

: 2016-57-1
1-aminodecane

: 536-60-7
cuminol

: N-(4-isopropylbenzyl)decan-1-amine

Conditions

Conditions	Yield
With Co2Rh2 nanoparticles immobilized on charcoal at 80℃; for 24h; Schlenk technique; Inert atmosphere; Green chemistry; chemoselective reaction;	96%

: 536-60-7
cuminol

: 2051-18-5
4-isopropylbenzyl chloride

Conditions

Conditions	Yield
With thionyl chloride In dichloromethane at 0℃; for 0.833333h; Temperature;	95%
With 1-methyl-pyrrolidin-2-one; benzenesulfonyl chloride In 1,2-dichloro-ethane at 80℃; for 1.5h;	92%
With thionyl chloride for 1h; Chlorination; Heating;	87%

: 70-55-3
toluene-4-sulfonamide

: 536-60-7
cuminol

: N-(4-isopropylbenzyl)-4-methylbenzenesulfonamide

Conditions

Conditions	Yield
With air; copper diacetate; potassium carbonate at 150℃; for 12h;	95%
With copper diacetate; potassium carbonate at 150℃; for 12h;	95%
With potassium carbonate at 160℃; for 12h;	93%

: 536-60-7
cuminol

: 59230-57-8
4-(i-propyl)benzyl acetate

Conditions

Conditions	Yield
With phenyl-trimethyl-ammonium perbromide In acetone at 20℃; for 0.833333h;	95%

: 98-85-1, 13323-81-4
1-Phenylethanol

: 536-60-7
cuminol

: 3-(4-isopropylphenyl)-1-phenylpropan-1-ol

Conditions

Conditions	Yield
With C27H24Cl3F6IrN2; sodium hydroxide In toluene at 135℃; for 8h;	95%
With C21H18MnN5O4; potassium tert-butylate In toluene at 110℃; under 750.075 Torr; for 24h; Inert atmosphere;	78%
With N,N,N,N,-tetramethylethylenediamine; potassium hydroxide; nickel dibromide In octane at 130℃; for 18h; Schlenk technique; Inert atmosphere;	78%
With C30H43ClCoN2P3(1+)*Cl(1-); potassium tert-butylate In toluene at 110℃; for 24h; Inert atmosphere; Glovebox; Sealed tube;	79 %Spectr.

: 108-98-5
thiophenol

: 536-60-7
cuminol

: C16H18S

Conditions

Conditions	Yield
With nanolayered cobalt-molybdenum sulphide with Co/(Mo+Co) mole ratio 0.83 In Hexadecane; toluene at 180℃; under 2625.26 Torr; for 18h; Inert atmosphere; Autoclave; chemoselective reaction;	95%

: 536-60-7
cuminol

: 13816-33-6
p-Cyanocumen

Conditions

Conditions	Yield
With copper(II) choride dihydrate; ammonium formate; potassium carbonate In neat (no solvent) at 135℃; under 760.051 Torr; for 24h; Sealed tube; Schlenk technique; Green chemistry;	94%
With ammonia at 250℃; Inert atmosphere;	83%
With ammonium hydroxide; sodium periodate; potassium iodide at 60℃; for 3h;	77%

: 524-38-9
N-hydroxyphthalimide

: 536-60-7
cuminol

: 796061-04-6
N-(4-isopropylbenzyloxy)phthalimide

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 1h; Inert atmosphere;	94%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; Mitsunobu Displacement;
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 3h; Mitsunobu Displacement; Inert atmosphere;
With triphenylphosphine In tetrahydrofuran at 0 - 20℃;

: 108-24-7
acetic anhydride

: 536-60-7
cuminol

A: 59230-57-8
4-(i-propyl)benzyl acetate

B: 64-19-7
acetic acid

Conditions

Conditions	Yield
With 3-((3-(trisilyloxy)propyl)propionamide)-1-methylimidazolium chloride ionic liquid supported on magnetic nanoparticle Fe2O3 at 20℃; for 0.416667h;	A 93% B n/a

...Expand

: 62-53-3
aniline

: 536-60-7
cuminol

: 17693-88-8
N-(4-isopropylbenzylidene)benzenamine

Conditions

Conditions	Yield
With CeO2 nanorods anchored on mesoporous carbon; air In toluene at 80℃; under 760.051 Torr; for 2h;	93%
With air; iron catalyst supported on mesoporous carbon In toluene at 80℃; under 750.075 Torr; for 8h; Green chemistry;	84.2%
With air; Mg-Al acid-base bifunctional oxide catalyst In toluene under 750.075 Torr; for 12h;	76.1%

: 3007-70-3
N-(heptyl)aniline

: 536-60-7
cuminol

: N-heptyl-N-(4-isopropylbenzyl)aniline

Conditions

Conditions	Yield
With Co2Rh2 nanoparticles immobilized on charcoal at 140℃; for 24h; Schlenk technique; Inert atmosphere; Green chemistry; chemoselective reaction;	93%

4-Isopropylbenzyl alcohol Consensus Reports

Reported in EPA TSCA Inventory.

4-Isopropylbenzyl alcohol Specification

The p-Cymen-7-ol is an organic compound with the formula C₁₀H₁₄O. The IUPAC name of this chemical is (4-propan-2-ylphenyl)methanol. With the CAS registry number 536-60-7 and EINECS 208-640-4, it is also named as 4-(1-Methylethyl)benzenemethanol. The classification code is Skin / Eye Irritant. It is clear colourless to slightly yellow liquid which is slightly soluble in water and miscible with ethanol and ethyl ether. When heated to decomposition it emits acrid smoke and irritating fumes. Additionally, this chemical should be sealed in the container and stored in the cool, well-ventilated and dry place which must be away from fire, light and heat.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.37; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 20.23 Å²; (9)Index of Refraction: 1.523; (10)Molar Refractivity: 46.88 cm³; (11)Molar Volume: 153.3 cm³; (12)Polarizability: 18.58×10^-24 cm³; (13)Surface Tension: 36.1 dyne/cm; (14)Density: 0.979 g/cm³; (15)Flash Point: 106 °C; (16)Enthalpy of Vaporization: 51.38 kJ/mol; (17)Boiling Point: 249 °C at 760 mmHg; (18)Vapour Pressure: 0.0124 mmHg at 25°C.

Preparation and Uses of p-Cymen-7-ol: It can be obtained by catalytic hydrogenation of cuminaldehyde in the presence of active nickel. It is used as spice which can be used in food and cosmetics. And it is also used as fragrance intermediate. What's more, it can react with 2-hydroxy-5-nitro-benzoic acid to get 2-hydroxy-5-nitro-benzoic acid 4-isopropyl-benzyl ester. This reaction needs reagents DCC, DMAP and solvents diethyl ether, tetrahydrofuran. The reaction time is 2 days. The yield is 82%.

p-Cymen-7-ol can react with 2-hydroxy-5-nitro-benzoic acid to get 2-hydroxy-5-nitro-benzoic acid 4-isopropyl-benzyl ester

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:OCc1ccc(cc1)C(C)C
2. InChI:InChI=1/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
3. InChIKey:OIGWAXDAPKFNCQ-UHFFFAOYAM

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	2500mg/kg (2500mg/kg)		Food and Cosmetics Toxicology. Vol. 12, Pg. 871, 1974.
rat	LD50	oral	1020mg/kg (1020mg/kg)		Food and Cosmetics Toxicology. Vol. 12, Pg. 871, 1974.

Product Name

4-ISOPROPYLBENZYL ALCOHOL

Synthetic route

4-Isopropylbenzyl alcohol Consensus Reports

4-Isopropylbenzyl alcohol Specification

Related Products

Hot Products