Propofol supplier | CasNO.2078-54-8

Name
Propofol
EINECS 218-206-6
CAS No. 2078-54-8
Article Data55
CAS DataBase
Density 0.948 g/cm³
Solubility Very slightly soluble in water.
Melting Point 18 °C(lit.)
Formula C₁₂H₁₈O
Boiling Point 256 °C at 760 mmHg
Molecular Weight 178.274
Flash Point 107.5 °C
Transport Information UN 2810
Appearance light yellow liquid
Safety 26-36/37/39-37/39-36
Risk Codes 22-36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms Phenol,2,6-diisopropyl- (6CI,8CI);2,6-Bis(1-methylethyl)phenol;2,6-Bis(isopropyl)phenol;2,6-Diisopropylphenol;Ampofol;Aquafol;Diprifusor;Diprivan;Diprivan 10;Diprofol;Disoprivan;Disoprofol;Fresofol;Ivofol;Pofol;Pronest;Propoflo;Propofol-lipuro;Propovan;Rapinovet;Recofol;
PSA 20.23000
LogP 3.63900

Synthetic route

: 95299-24-4
2,6-diisopropylcyclohexanol

: 7440-06-4
platinum

: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
	96.5%

: 1-tert-butoxycarbonyloxy-2,6-diisopropylbenzene

: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
With sodium methylate In methanol; dichloromethane at 20℃; for 9h;	96%
With hydrogenchloride In 1,4-dioxane for 3h; Product distribution; Heating; deprotection;	87%

: 4-hydroxy-3,5-diisopropylbenzoic acid isopropyl ester

: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
With sodium hydroxide In isopropyl alcohol at 20 - 70℃; for 7h; Inert atmosphere;	94.9%

: C14H19N2O2(1+)*O4S(2-)

: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
With formaldehyd; water; sodium hydroxide at 0 - 20℃; for 1h; Reagent/catalyst;	94.7%

: 2944-52-7
2,6-diisopropyl anisole

: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
With 1-n-butyl-3-methylimidazolim bromide at 220℃; for 0.666667h; Inert atmosphere; Microwave irradiation;	94%

: 4-hydroxy-3,5-diisopropylbenzoic acid t-butyl ester

: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
With sodium hydroxide In tert-butyl alcohol at 20 - 60℃; for 5h; Reagent/catalyst; Temperature; Solvent; Inert atmosphere;	94%

: 13423-73-9
3,5-diisopropyl p-hydroxybenzoic acid

: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
Stage #1: 4-hydroxy-3,5-diisopropylbenzoic acid; sodium hydroxide In ethylene glycol at 140 - 145℃; for 7h; Inert atmosphere; Stage #2: With hydrogenchloride In water; ethylene glycol for 1h; pH=1 - 2;	93.5%
With decarboxylase at 25℃; for 15h; pH=6.5; Enzymatic reaction;	80.3%
With sodium hydroxide In 2-ethoxy-ethanol at 125 - 130℃; Large scale;	74%
Stage #1: 4-hydroxy-3,5-diisopropylbenzoic acid With sodium hydroxide In ethylene glycol at 140 - 145℃; Stage #2: With hydrogenchloride In water; ethylene glycol at 20℃; for 0.5h; pH=1 - 2;	53 g

: 67-63-0
isopropyl alcohol

: 108-95-2
phenol

: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
With H-β zeolite at 259.84℃; Kinetics; Catalytic behavior; Reagent/catalyst; Temperature;	93%

: 91561-75-0
4-Chloropropofol

: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
Stage #1: 4-Chloropropofol With hydrogen; sodium hydroxide; 5%-palladium/activated carbon In water at 20 - 25℃; under 2250.23 - 3750.38 Torr; Stage #2: With hydrogenchloride In water	90%
Stage #1: 4-Chloropropofol With hydrogen; sodium hydroxide; 5%-palladium/activated carbon In water at 20 - 25℃; under 2250.23 - 3750.38 Torr; Stage #2: With hydrogenchloride In water Product distribution / selectivity;	90%
With nickel; benzene Hydrogenation;

: 163704-47-0
1,3-diisopropyl-2-iodobenzene

: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
Stage #1: 2-iodo-1,3-diisopropylbenzene With copper(l) iodide; 1,10-Phenanthroline; potassium hydroxide In water; dimethyl sulfoxide at 20 - 100℃; Inert atmosphere; Stage #2: With hydrogenchloride In water; dimethyl sulfoxide at 20℃; Inert atmosphere;	85%
Multi-step reaction with 4 steps 1.1: sodium perborate tetrahydrate / 17 h / 20 - 40 °C 2.1: dichloromethane / 20 °C 3.1: sodium hexamethyldisilazane / pentane; toluene / 0.17 h / 0 - 25 °C / Inert atmosphere; Schlenk technique 3.2: 12 h / 0 - 25 °C / Schlenk technique; Inert atmosphere 4.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 3 h / 0 - 25 °C View Scheme

: 363166-79-4
(2,6-diisopropylphenyl) boronic acid

: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
With p-benzoquinone; potassium hydroxide In water for 30h; Reflux; Green chemistry;	75%

: 1035347-44-4
2,6-diisopropylphenyl tert-butyldimethylsilyl ether

: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran at 0 - 25℃; for 3h;	72%

: 67-63-0
isopropyl alcohol

: 108-95-2
phenol

A: 88-69-7
2-(1-methylethyl)phenol

B: 99-89-8
4-Isopropylphenol

C: 644-35-9
5-propylphenol

D: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
With supercritical water at 399.84℃; for 1h; Kinetics; Further Variations:; Time;	A 57.9% B 2.4% C 6.9% D 5.9%

...Expand

: 2,6-di(prop-1-en-2-yl)phenol

: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; for 2h;	56%

: 24544-04-5
2,6-diisopropylbenzenamine

: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
With uranyl nitrate hydrate; water; trifluoroacetic acid for 48h; Irradiation; Inert atmosphere;	48%
Stage #1: 2,6-diisopropylbenzenamine With sulfuric acid; sodium nitrite In water at -5℃; for 0.333333h; Stage #2: In water at 127℃; for 2h; Reagent/catalyst; Temperature;

: 67-63-0
isopropyl alcohol

: 108-95-2
phenol

A: 88-69-7
2-(1-methylethyl)phenol

B: 99-89-8
4-Isopropylphenol

C: 2078-54-8
2,6-diisopropylphenol

D: 2741-16-4
isopropoxybenzene

Conditions

Conditions	Yield
With HMCM-49/MCM-41 composite at 180℃; under 760.051 Torr; for 1h; Flow reactor;	A 41.6% B 13.3% C n/a D n/a

...Expand

: 67-63-0
isopropyl alcohol

: 108-95-2
phenol

A: 88-69-7
2-(1-methylethyl)phenol

B: 99-89-8
4-Isopropylphenol

C: 2078-54-8
2,6-diisopropylphenol

D: 2934-07-8
2,4,6-triisopropylphenol

Conditions

Conditions	Yield
With HMCM-49 at 180℃; under 760.051 Torr; for 1h; Flow reactor;	A 35.5% B 9.4% C n/a D n/a

...Expand

: 187737-37-7
propene

: 15086-27-8
aluminium(III) phenoxide

: 108-95-2
phenol

: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
at 240℃; under 10297.1 - 25742.8 Torr;
at 240℃; under 10297.1 - 25742.8 Torr; reagiert analog mit Anilin in Gegenwart von Aluminiumanilid bei 330grad/40-55at;
at 240℃; under 10297.1 - 25742.8 Torr; reagiert analog mit N-Methyl-anilin in Gegenwart von Aluminium-<N-methyl-anilid> bei 235grad/49at;

...Expand

: 187737-37-7
propene

: 108-95-2
phenol

: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
With aluminium(III) phenoxide at 220 - 240℃;

: 88-69-7
2-(1-methylethyl)phenol

: 2934-07-8
2,4,6-triisopropylphenol

A: 2934-05-6
2,4-diisopropylphenol

B: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
sulfuric acid at 149.9℃; for 268h; Thermodynamic data; Equilibrium constant; Product distribution; other catalyst (AlCl3, AlBr3), temperature, time, ΔHr, ΔSr;

...Expand

: 2934-05-6
2,4-diisopropylphenol

: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
aluminium trichloride at 149.9℃; for 13h; Thermodynamic data; Equilibrium constant; Product distribution; other catalyst (AlBr3), temperature, time, ΔHr, ΔSr;

: 99-89-8
4-Isopropylphenol

: 67-63-0
isopropyl alcohol

A: 88-69-7
2-(1-methylethyl)phenol

B: 2934-05-6
2,4-diisopropylphenol

C: 2078-54-8
2,6-diisopropylphenol

D: 2934-07-8
2,4,6-triisopropylphenol

E: 35946-91-9
2,5-Diisopropylphenol

Conditions

Conditions	Yield
Houdry HA-100 alumina at 300℃; Product distribution; Mechanism;

...Expand

: 67-63-0
isopropyl alcohol

: 108-95-2
phenol

A: 88-69-7
2-(1-methylethyl)phenol

B: 99-89-8
4-Isopropylphenol

C: 2934-05-6
2,4-diisopropylphenol

D: 2078-54-8
2,6-diisopropylphenol

E: 618-45-1
3-isopropylhydroxybenzene

F: 35946-91-9
2,5-Diisopropylphenol

Conditions

Conditions	Yield
Houdry HA-100 alumina at 350℃; Product distribution; Mechanism; other substrates; other temperatures and concentrations;	A 22.6 % Chromat. B n/a C 9.2 % Chromat. D 6.4 % Chromat. E n/a F 8.1 % Chromat.

...Expand

: 187737-37-7
propene

: 108-95-2
phenol

A: 2934-05-6
2,4-diisopropylphenol

B: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
at 110℃;

...Expand

: 106-48-9
4-chloro-phenol

: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2SO4 2: Raney nickel; benzene / Hydrogenation View Scheme

: 34557-54-5
methane

: 2005-09-6
2,6-Diisopropylphenyl benzoate

: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
With sodium hydroxide In methanol; water

: 2-(benzyloxy)-1,3-diisopropylbenzene

: 7440-44-0
pyrographite

: 2078-54-8
2,6-diisopropylphenol

Conditions

Conditions	Yield
With acetic acid In ethanol; palladium

: 2078-54-8
2,6-diisopropylphenol

: 2178-51-0
3,3',5,5'-tetraisopropyldiphenoquinone

Conditions

Conditions	Yield
With C24H13Cu2F9N4O7; oxygen In isopropyl alcohol at 90℃; under 760.051 Torr; for 12h;	100%
With Cu2(ophen)2 In methanol at 28℃; for 10h;	100%
With oxygen In chloroform at 49.84℃; under 760.051 Torr; for 24h; Green chemistry; regioselective reaction;	97%

: 1270-98-0
cyclopentadienyl titanium(IV) trichloride

: 2078-54-8
2,6-diisopropylphenol

: cyclopentadienyl(2,6-di-isopropylphenoxy)titanium dichloride

Conditions

Conditions	Yield
In dichloromethane room temp.;	100%
With triethylamine In diethyl ether byproducts: HN(C2H5)3Cl; dissolution of Ti-complex in Et2O, addn. of alcohol, stirring for ca. 2 min, dropwise addn. of NEt3, immediate ppt., stirring overnight under Ar; filtn. (in-line glass sinter), washing with Et2O, combining washings with filtrate, removal of solvent in vacuo, recrystn. from n-hexane;	70%

: 2078-54-8
2,6-diisopropylphenol

: 96-32-2
bromoacetic acid methyl ester

: 1285189-84-5
methyl 2-(2,6-diisopropylphenoxy)acetate

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile for 16h; Reflux;	100%

: 2078-54-8
2,6-diisopropylphenol

: 2432-03-3
4-bromopropofol

Conditions

Conditions	Yield
With bis(trichloromethyl) carbonate; tetrabutylammomium bromide; potassium bromide In water; ethyl acetate at 20℃; for 19h; regioselective reaction;	99%
With bromine; acetic acid at 20℃; for 1h;	98.6%
With bromine In acetic acid at 20℃; for 1h;	94%

: 2078-54-8
2,6-diisopropylphenol

: 2416-95-7
3,3',5,5'-tetraisopropyl-[1,1'-biphenyl]-4,4'-diol

Conditions

Conditions	Yield
Stage #1: 2,6-diisopropylphenol With oxygen In tert-butyl alcohol at 70℃; under 760.051 Torr; for 18h; Green chemistry; Stage #2: With hydrogen In tert-butyl alcohol at 60℃; under 760.051 Torr; for 4h; Green chemistry;	99%
With CuCl(OH)*TMEDA In dichloromethane at 20℃; for 5h;	95%
Stage #1: 2,6-diisopropylphenol In dichloromethane at 20℃; for 5h; Stage #2: With sodium dithionite In ethanol for 0.333333h; Heating;	95%

: 2078-54-8
2,6-diisopropylphenol

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

: 1-tert-butoxycarbonyloxy-2,6-diisopropylbenzene

Conditions

Conditions	Yield
With dmap In dichloromethane at 20℃;	99%
With dmap In hexane for 0.5h;	95%
With PNIPAM-bound 4-dialkylaminopyridine-methyl red terpolymer In dichloromethane at 25℃;	93%
With 6,7-dimethoxyisoquinoline In dichloromethane at 20℃; for 10h; Inert atmosphere; chemoselective reaction;	73%
With dmap In tetrahydrofuran at -5 - 20℃; under 760.051 Torr; for 3h;

: 2078-54-8
2,6-diisopropylphenol

: 530-62-1
1,1'-carbonyldiimidazole

: 127979-33-3
2,6-diisopropyl 1H-imidazole-1-carboxylate

Conditions

Conditions	Yield
In dichloromethane for 24h; Heating;	99%
In dichloromethane for 5h; Heating;	97%

: 2078-54-8
2,6-diisopropylphenol

: 7550-45-0
titanium tetrachloride

: 139416-07-2
bis(2,6-diisopropylphenolato)titanium(IV) dichloride

Conditions

Conditions	Yield
In tetrachloromethane byproducts: HCl; refluxing (3.5 h); evapn. (reduced pressure); elem. anal.;	99%
In hexane at 0 - 20℃; for 16h;	63%
In benzene byproducts: HCl; moisture free atmosphere; stoichiometric amounts; reflux till the evolution of HCl ceased;; removal of the volatiles under reduced pressure;;
In toluene byproducts: HCl; N2, vigorously refluxed for 13 h; cooled, filtered, solvent removed, dried (vac., several h);

: 109-99-9
tetrahydrofuran

: La2(O-2,6-i-Pr2C6H3)6

: 2078-54-8
2,6-diisopropylphenol

: 7646-69-7
sodium hydride

: 172918-17-1
(THF)La(O-2,6-i-Pr2C6H3)2(μ-O-2,6-i-Pr2C6H3)2Na(THF)2

Conditions

Conditions	Yield
In tetrahydrofuran; toluene Ar-atmosphere; addn. of La-compd. (in PhMe) to mixt. of diisopropylphenol and NaH (in THF) with stirring, stirring for 72 h at room temp.; filtration (Celite), removal of volatiles (vac.), washing (hexane), extn. into PhMe, filtration (Celite), vol. reduction (vac.), crystn. (-40°C, overnight); elem. anal.;	99%

...Expand

: 2078-54-8
2,6-diisopropylphenol

: 106-96-7
propargyl bromide

: 1033921-02-6
1,3-diisopropyl-2-(prop-2-yn-1-yloxy)benzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 16h;	99%
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 24h;	86%

: 2078-54-8
2,6-diisopropylphenol

: 201230-82-2
carbon monoxide

: 106-99-0
buta-1,3-diene

: C21H30O2

Conditions

Conditions	Yield
With palladium diacetate; triphenylphosphine; benzoic acid In tetrahydrofuran at -40 - 80℃; under 15001.5 Torr; Autoclave; Inert atmosphere;	99%

...Expand

: 2078-54-8
2,6-diisopropylphenol

: 79-22-1
methyl chloroformate

: C14H20O3

Conditions

Conditions	Yield
With triethylamine In 1,2-dichloro-ethane at 0 - 5℃; for 2h; Reagent/catalyst; Green chemistry;	98.5%

: 2078-54-8
2,6-diisopropylphenol

: 100-97-0
hexamethylenetetramine

: 10537-86-7
3,5-diisopropyl-4-hydroxybenzaldehyde

Conditions

Conditions	Yield
Stage #1: 2,6-diisopropylphenol; hexamethylenetetramine With trifluoroacetic acid at 90℃; for 12h; Inert atmosphere; Stage #2: With hydrogenchloride at 80℃; for 3h; Inert atmosphere;	98%
With acetic acid In water for 2.58333h; Reflux;	97%
With acetic acid In water for 6h; Reflux;	89%

: 2078-54-8
2,6-diisopropylphenol

: C36H51ClO3Si

Conditions

Conditions	Yield
With pyridine; tetrachlorosilane In benzene 1.) RT, 12 h, 2.) reflux, 1 h;	98%

: 85-44-9
phthalic anhydride

: 2078-54-8
2,6-diisopropylphenol

: 107303-38-8
3,3-bis-(4-hydroxy-3,5-diisopropylphenyl)-1-(3H)-isobenzofuranone

Conditions

Conditions	Yield
With PPA; zinc(II) chloride at 100℃; for 3h; Product distribution / selectivity;	98%
With Lewis acid at 90℃; for 5h; Product distribution / selectivity;	89%
With methanesulfonic acid at 90℃; for 5h;	89%

: 2078-54-8
2,6-diisopropylphenol

: V(NC6F5)(CH2SiMe3)3

: V(NC6F5)(CH2SiMe3)2(O-2,6-iPr2C6H3)

Conditions

Conditions	Yield
In hexane at -30 - 25℃; for 12h; Inert atmosphere;	98%

: 2078-54-8
2,6-diisopropylphenol

: 95299-24-4
2,6-diisopropylcyclohexanol

Conditions

Conditions	Yield
With hydrogen; nickel at 39℃; under 76000 Torr; for 104h;	97%
With hydrogen; nickel at 104℃; under 72960 - 82080 Torr; for 39h;	97%
With hydrogen under 38002.6 Torr;	70%
With nickel at 200℃; under 75021.8 Torr; Hydrogenation;

: 75-79-6
Methyltrichlorosilane

: 2078-54-8
2,6-diisopropylphenol

: C37H54O3Si

Conditions

Conditions	Yield
With pyridine In benzene 1.) RT, 12 h, 2.) reflux, 1 h;	97%

: 2078-54-8
2,6-diisopropylphenol

: 143112-20-3
2-methoxy-6-((E)-prop-1-enyl)benzoic acid

: 438569-39-2
2-Methoxy-6-((E)-propenyl)-benzoic acid 2,6-diisopropyl-phenyl ester

Conditions

Conditions	Yield
With trifluoroacetic anhydride In benzene at 20℃; for 24h;	97%

: 2078-54-8
2,6-diisopropylphenol

: 105-36-2
ethyl bromoacetate

: 145546-92-5
ethyl 2,6-diisopropylphenoxyacetate

Conditions

Conditions	Yield
In water; N,N-dimethyl-formamide	96.1%
With potassium carbonate In N,N-dimethyl-formamide

: 227626-60-0
N-Boc-gabapentin

: 2078-54-8
2,6-diisopropylphenol

: 2,6-(diisopropyl)phenyl 1-[tert-butoxycarbonylaminomethyl]-1-cyclohexane acetate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In toluene at 90℃; for 14h;	96%

: 111143-98-7, 99898-37-0
η5-pentamethylcyclopentadienyl(1,2,3,4-tetramethylfulven)ruthenium tetrafluoroborate

: 2078-54-8
2,6-diisopropylphenol

: 99898-35-8
(2,6-diisopropylphenoxymethyl)nonamethylruthenocene

Conditions

Conditions	Yield
In dichloromethane to soln. of Ru complex in CH2Cl2 added 2,6-diisopropylphenol, stirred overnight at room temp.; evapd., washed with aq. soln. of KOH, dried, recrystd. from hexane; elem. anal.;	96%

: 109-99-9
tetrahydrofuran

: 41836-21-9
tris(bis(trimethylsilylamido))cerium(III)

: 2078-54-8
2,6-diisopropylphenol

: 950991-01-2
[Ce(2,6-diisopropylphenol(-H))3(tetrahydrofuran)3]

Conditions

Conditions	Yield
In tetrahydrofuran; toluene byproducts: HN(Si(CH3)3)2; under inert atm., Schlenk techniques; soln. of Ce compd. (0.36 mmol) andalcohol (1.1 mmol) stirred for 12 h; concd., crystd. on cooling to -25°C, elem. anal.;	96%

...Expand

: 2078-54-8
2,6-diisopropylphenol

A: 2178-51-0
3,3',5,5'-tetraisopropyldiphenoquinone

B: 2416-95-7
3,3',5,5'-tetraisopropyl-[1,1'-biphenyl]-4,4'-diol

C: 22944-23-6
Acetic acid 4-hydroxy-3,5-diisopropyl-phenyl ester

Conditions

Conditions	Yield
With manganese triacetate In acetic acid at 100℃; for 0.0833333h;	A 95% B 1% C 1%

...Expand

: 2078-54-8
2,6-diisopropylphenol

: 108-24-7
acetic anhydride

: 28000-66-0
2,6-Diisopropylphenyl acetate

Conditions

Conditions	Yield
at 160℃; for 20h;	95%

: 2078-54-8
2,6-diisopropylphenol

: 106-95-6
allyl bromide

: 951-17-7
(2,6-diisopropyl)phenyl allyl ether

Conditions

Conditions	Yield
With potassium carbonate In acetone for 24h; Heating;	95%

: Mo(N(2,6-diisopropylphenyl))(CHtBu)(CH2tBu)2

: 2078-54-8
2,6-diisopropylphenol

: Mo(N-2,6-i-Pr2C6H3)(CH-t-Bu)(CH2-t-Bu)(O-2,6-i-Pr2C6H3)

Conditions

Conditions	Yield
In dichloromethane under N2 atm. Mo complex and 2,6-diisopropylphenol in pentane was stirred at room temp. for 12 h; solvent was removed in vacuo, residue was dissolved in pentane and stored at -20°C; elem. anal.;	95%
In not given byproducts: C(CH3)4; benzene or toluene, 22°C, up to 24 h;

Propofol Chemical Properties

IUPAC Name: 2,6-Di(propan-2-yl)phenol
Molecular Formula: C₁₂H₁₈O
Molecular Weight: 178.27 g/mol
Canonical SMILES: c1(c(c(C(C)C)ccc1)O)C(C)C
InChI: InChI=1/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
EINECS: 218-206-6
Classification Code: Anesthetic; Anesthetics; Anesthetics, General; Anesthetics, intravenous; Central Nervous System Agents; Central Nervous System Depressants; Drug / Therapeutic Agent; Human Data; Hypnotics and Sedatives; Reproductive Effect
Product Categories: Heterocyclic Compounds; Intermediates & Fine Chemicals; Pharmaceuticals; GABA/Glycine receptor; GABA
Melting Point : 18 °C(lit.)
Molar Volume: 188 cm³
Polarizability: 22.4×10^-24cm³
Surface Tension: 33.5 dyne/cm
Density: 0.948 g/cm³
Flash Point: 107.5 °C
Enthalpy of Vaporization: 51.34 kJ/mol
Boiling Point: 256 °C at 760 mmHg
Storage temperature: 0-6 °C
Melting Point: 18 °C(lit.)
Water Solubility: 124 mg/L at 25 °C
Vapour Pressure of Propofol (CAS NO.2078-54-8): 3.05E-03 mm Hg at 25 °C

Propofol Uses

Propofol (CAS NO.2078-54-8) is used as a anesthetic used in veterinary medicine.

Propofol Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intravenous	30mg/kg (30mg/kg)		Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 38, Pg. 1117, 1996.
man	LDLo	intravenous	386mg/kg/14D- (386mg/kg)	LUNGS, THORAX, OR RESPIRATION: PLEURAL THICKENING	Critical Care Medicine. Vol. 23, Pg. 1928, 1995.
man	TDLo	unreported	2857ug/kg/1D- (2.857mg/kg)	BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" BEHAVIORAL: REGIDITY BEHAVIORAL: IRRITABILITY	Anaesthesia. Vol. 43, Pg. 170, 1988.
mouse	LD50	intraperitoneal	170mg/kg (170mg/kg)		Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 201, 1960.
mouse	LD50	intravenous	50mg/kg (50mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: ANALGESIA BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)	Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.
mouse	LD50	oral	1100mg/kg (1100mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995.
rabbit	LDLo	intravenous	20mg/kg (20mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: SLEEP BEHAVIORAL: MUSCLE WEAKNESS	Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.
rat	LD50	intravenous	42mg/kg (42mg/kg)		Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 21, Pg. 11, 1993.
rat	LD50	oral	500mg/kg (500mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995.

Propofol Consensus Reports

Reported in EPA TSCA Inventory.

Propofol Safety Profile

Poison by intravenous and intraperitoneal routes. Experimental reproductive effects. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO₂, dry chemical. When heated to decomposition it emits acrid smoke and fumes. See also PHENOL.
Hazard Codes: Harmful Xn
Risk Statements: 22-36/37/38-20/21/22
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36/37/39-37/39-36
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.
S37/39: Wear suitable gloves and eye/face protection.
S36: Wear suitable protective clothing.
RIDADR: 2810
WGK Germany: 3
HazardClass: 6.1(b)
PackingGroup of Propofol (CAS NO.2078-54-8): III

Propofol Standards and Recommendations

ASSAY: 98.0 - 102.0% (titration)
WATER: 0.2% max
CHLORIDE: 300ppm max
IMPURITY: 0.3% max (total impurity); 0.2% max (individual impurity)
SOLVENT RESIDUE: 0.1% max

Propofol Specification

Propofol (CAS NO.2078-54-8), its Synonyms are Disoprofol ; Phenol, 2,6-bis(1-methylethyl)- ; Phenol, 2,6-diisopropyl- ; 2,6-Bis(1-methylethyl)phenol ; 2,6-Diisopropylphenol ; Ampofol ; Aquafo ; Diprivan Injectable emulsion ; Propofol-lipuro ; Propofolum and so on. It is light yellow liquid.

Product Name

Propofol

Synthetic route

Propofol Chemical Properties

Propofol Uses

Propofol Toxicity Data With Reference

Propofol Consensus Reports

Propofol Safety Profile

Propofol Standards and Recommendations

Propofol Specification

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