CAS No.2078-54-8,Propofol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2078-54-8
Name:	Propofol
Article Data:	55

Formula:	C₁₂H₁₈O
Molecular Weight:	178.274
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;
EINECS:	218-206-6
Density:	0.948 g/cm³
Melting Point:	18 °C(lit.)
Boiling Point:	256 °C at 760 mmHg
Flash Point:	107.5 °C
Solubility:	Very slightly soluble in water.
Appearance:	light yellow liquid
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38-20/21/22
Safety:	26-36/37/39-37/39-36
Transport Information:	UN 2810
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

Raw Materials

99-62-7

99-89-8

108-21-4

Downstream Products

92-85-3

555-16-8

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Chemistry

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

Uses

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

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.

Consensus Reports

Reported in EPA TSCA Inventory.

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

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

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.

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