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| CAS No.: | 2078-54-8 |
|---|---|
| Name: | Propofol |
| Molecular Structure: | |
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|
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| 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 |
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- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
| Conditions | Yield |
|---|---|
| 96.5% |
- 2078-54-8
2,6-diisopropylphenol
| 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% |
- 2078-54-8
2,6-diisopropylphenol
| Conditions | Yield |
|---|---|
| With sodium hydroxide In isopropyl alcohol at 20 - 70℃; for 7h; Inert atmosphere; | 94.9% |
- 2078-54-8
2,6-diisopropylphenol
| Conditions | Yield |
|---|---|
| With formaldehyd; water; sodium hydroxide at 0 - 20℃; for 1h; Reagent/catalyst; | 94.7% |
| Conditions | Yield |
|---|---|
| With 1-n-butyl-3-methylimidazolim bromide at 220℃; for 0.666667h; Inert atmosphere; Microwave irradiation; | 94% |
- 2078-54-8
2,6-diisopropylphenol
| 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 | 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 |
| 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 | 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 | 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 |
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Chemistry
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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: 22.4×10-24 cm3
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: 
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.