Conditions | Yield |
---|---|
With H3PO4-activated and WOx-loaded montmorillonite nanocatalyst In water at 320℃; for 3h; Reagent/catalyst; Flow reactor; | A n/a B n/a C 67.3% |
With phosphorus containing Fe2O3 nanoparticles In water at 320℃; for 24h; Inert atmosphere; | |
With 10 w% WO3/ZrO2 at 250℃; Temperature; Time; Inert atmosphere; | |
With HZSM5/Fe/Rb In water at 340℃; under 760.051 Torr; Inert atmosphere; | |
With oxygen In water at 285℃; under 760.051 Torr; for 1h; Flow reactor; | A 10.65 %Chromat. B 19.63 %Chromat. C 57.96 %Chromat. |
Conditions | Yield |
---|---|
With piperazine; hydrogen In ethanol at 80℃; under 4500.45 Torr; for 24h; | 99% |
With hydrogen In methanol at 20℃; under 760.051 Torr; for 4.5h; Green chemistry; | 98% |
With hydrogen In methanol under 760.051 Torr; for 5h; | 97% |
Conditions | Yield |
---|---|
With hydrogen In water at 110℃; under 22502.3 Torr; for 2.33333h; Reagent/catalyst; Pressure; Temperature; | 96% |
With sulfuric acid; zinc diacetate; iron(II) sulfate at 25℃; bei der elektrolytischen Reduktion an einer amalgamierten Bleikathode; Reagens 4: Hydrochinon; | |
With aluminum isopropoxide; isopropyl alcohol |
Conditions | Yield |
---|---|
With trans-[(2,6-bis(di-tert-butylphosphinomethyl)pyridine)Fe(H)2(CO)]; hydrogen; sodium methylate In 1,4-dioxane at 40℃; under 18751.9 Torr; for 16h; Glovebox; Inert atmosphere; | A 95% B n/a |
With trimethylamine-N-oxide; tricarbonyl(η4-1,3-bis(trimethylsilyl)-4,5,6,7-tetrahydro-2H-inden-2-one)iron; hydrogen; triethylamine In toluene at 90℃; under 52505.3 Torr; for 17h; Inert atmosphere; Glovebox; | |
With C21H35BrMnN2O2P; hydrogen; potassium hydride; 1,3,5-trimethyl-benzene In toluene at 100℃; under 15001.5 Torr; for 60h; Autoclave; Inert atmosphere; | A 97 %Spectr. B 96 %Spectr. |
With C21H35BrMnN2O2P; hydrogen; potassium hydride In toluene at 100℃; under 15001.5 Torr; for 60h; | A 97 %Spectr. B 96 %Spectr. |
2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
allyl alcohol
Conditions | Yield |
---|---|
With [bis(acetoxy)iodo]benzene; water; triethylamine In acetonitrile at 20℃; for 1h; | 67% |
With sodium periodate; iodobenzene In water; acetonitrile at 80℃; for 8h; | 64% |
Conditions | Yield |
---|---|
With formic acid at 235℃; | 98% |
With rhenium trioxide; hydrogen at 140℃; Temperature; Reagent/catalyst; Solvent; Time; | 91% |
In water at 148℃; for 2.5h; Catalytic behavior; Reagent/catalyst; Temperature; Solvent; Sealed tube; | 91% |
2-(prop-2-en-1-yloxy)oxane
allyl alcohol
Conditions | Yield |
---|---|
With methanol at 20℃; for 0.5h; | 98% |
With methanol; zirconium(IV) chloride at 20℃; for 4h; | 96% |
ruthenium trichloride In water; acetonitrile at 20℃; for 0.333333h; | 96% |
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; water; sodium hydroxide In hexane at 25℃; pH=5; | 90% |
With water; sodium hydrogencarbonate at 150℃; | |
With copper; potassium carbonate | |
With fluoride In gas Rate constant; reaction efficiency; |
Conditions | Yield |
---|---|
palladium anchored polystyrene In neat (no solvent) at 25℃; under 41371.8 Torr; for 15h; | A 5% B 90% |
With hydrogen; copper-palladium; silica gel In ethanol at 25℃; under 760 Torr; Kinetics; | A n/a B 85% |
With hydrogen; palladium dichloride In N,N-dimethyl-formamide under 18751.5 Torr; for 0.316667h; Product distribution; Ambient temperature; various time; | A 2.6% B 76.3% |
Conditions | Yield |
---|---|
With KOH/ZrO2 In water at 225℃; Reagent/catalyst; Temperature; Solvent; | 47% |
(E)-4-(acetoxy)-1-phenyl-2-buten-1-one
A
3-hydroxy-1-phenyl-but-2-en-1-one
B
allyl alcohol
Conditions | Yield |
---|---|
Stage #1: (E)-4-(acetoxy)-1-phenyl-2-buten-1-one With bis(iodozinc)methane In tetrahydrofuran at 25℃; Inert atmosphere; Stage #2: With ammonium chloride In tetrahydrofuran; water Inert atmosphere; | A 91% B n/a |
Conditions | Yield |
---|---|
With H3PO4-activated and WOx-loaded montmorillonite nanocatalyst In water at 320℃; for 3h; Flow reactor; | A n/a B n/a C 50.7% |
tris(allyl)borate
n-perfluorohexyl iodide
A
2-iodo-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-1-ol
B
allyl alcohol
Conditions | Yield |
---|---|
Stage #1: tris(allyl)borate; n-perfluorohexyl iodide With 2,2'-azobis(isobutyronitrile) at 60 - 70℃; for 3h; Stage #2: With water at 60℃; | A 99% B n/a |
glycerol
A
acetaldehyde
B
allyl alcohol
C
hydroxy-2-propanone
D
acrolein
Conditions | Yield |
---|---|
With H3PO4-activated and WOx-loaded montmorillonite nanocatalyst In water at 320℃; for 3h; Reagent/catalyst; Flow reactor; | A n/a B n/a C n/a D 46.7% |
glycerol
A
propan-1-ol
B
propylene glycol
C
allyl alcohol
D
isopropyl alcohol
Conditions | Yield |
---|---|
With hydrogen In 1,4-dioxane at 20 - 140℃; under 7500.75 - 60006 Torr; for 32h; Autoclave; |
glycerol
A
propan-1-ol
B
propylene glycol
C
propene
D
allyl alcohol
Conditions | Yield |
---|---|
With hydrogen In 1,4-dioxane at 20 - 140℃; under 7500.75 - 60006 Torr; for 4h; Time; Autoclave; |
Conditions | Yield |
---|---|
With lithium phosphate at 245 - 250℃; | |
With aluminum oxide at 275℃; | |
With chromium(III) oxide at 350℃; | |
With gold nanoparticles supported on hollow mesoporous silica (Au/SiO2) at 370℃; |
Conditions | Yield |
---|---|
With alumina-supported iron In water at 340℃; Inert atmosphere; | 17.5% |
Conditions | Yield |
---|---|
With water; ion exchange resin Diaion SK104H at 80℃; under 3750.38 Torr; | |
With water; ion exchange resin Diaion SK104H at 80℃; under 3750.38 Torr; | |
With water Product distribution / selectivity; |
Conditions | Yield |
---|---|
With di(n-butyl)tin oxide at 180℃; under 0.975098 - 9.976 Torr; for 2h; |
Conditions | Yield |
---|---|
With dibutyltin oxide at 180℃; under 0.975098 - 9.976 Torr; for 1h; |
Conditions | Yield |
---|---|
With dibutyltin oxide at 180℃; under 0.975098 - 9.976 Torr; for 1h; |
4,4'-isopropylidenebis[2-(2,6-dibromophenoxy)ethanol]
diallyl isophthalate
B
allyl alcohol
Conditions | Yield |
---|---|
With dibutyltin oxide at 180℃; under 0.975098 - 9.976 Torr; for 1h; |
4,4'-isopropylidenebis[2-(2,6-dibromophenoxy)ethanol]
diallyl terephthalate
B
allyl alcohol
Conditions | Yield |
---|---|
With dibutyltin oxide at 180℃; under 0.975098 - 9.976 Torr; for 1h; |
methyloxirane
allyl alcohol
Conditions | Yield |
---|---|
With lithium phosphate at 280℃; | |
lithium phosphate containing about 0.1-0.3 wt percent of sodium and 0.3-0.5 wt percent of boron at 253 - 273℃; Conversion of starting material; | |
lithium phosphate containing 0.3 wt percent of boron at 273℃; Conversion of starting material; |
allyloxytrimethylsilane
allyl alcohol
Conditions | Yield |
---|---|
With oxygen; manganese(II) p-aminobenzoate; cobalt(II) p-aminobenzoate; silica gel In hexane for 10.5h; Heating; | 88% |
With oxygen; silica gel-supported Co/Mn p-aminobenzoate (1:1 mixture) In hexane for 12h; Heating; | 88% |
Conditions | Yield |
---|---|
at 315℃; Gas phase; |
propene
A
allyl alcohol
B
acrolein
C
methyloxirane
Conditions | Yield |
---|---|
With oxygen at 349.84℃; under 1125.11 Torr; Reagent/catalyst; Temperature; |
The Allyl alcohol, also known as 3-Hydroxypropene, is an organic compound with the formula C3H6O. It belongs to the product category of Pharmaceutical Intermediates. Its EINECS registry number is 203-470-7. With the CAS registry number 107-18-6, its IUPAC name is prop-2-en-1-ol.
Physical properties of Allyl alcohol: (1)ACD/LogP: 0.13; (2)ACD/LogD (pH 5.5): 0.128; (3)ACD/LogD (pH 7.4): 0.128; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 27.958; (7)ACD/KOC (pH 7.4): 27.958; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.402; (12)Molar Refractivity: 17.208 cm3; (13)Molar Volume: 70.655 cm3; (14)Surface Tension: 24.53 dyne/cm; (15)Density: 0.822 g/cm3; (16)Flash Point: 22.222 °C; (17)Enthalpy of Vaporization: 39.45 kJ/mol; (18)Boiling Point: 99.025 °C at 760 mmHg; (19)Vapour Pressure: 22.334 mmHg at 25°C.
Preparation: Allyl alcohol can be obtained by many methods. The hydrolysis of allyl chloride is the traditional route:
CH2CHCH2Cl + NaOH → CH2CHCH2OH + NaCl
Uses: Allyl alcohol is mainly converted to glycidol, which is a chemical intermediate in the synthesis of glycerol, glycidyl ethers, esters and amines. Also, a variety of polymerizable esters are prepared from allyl alcohol, e.g. diallyl phthalate.
When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It may present an immediate or delayed danger to one or more components of the environment. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CCO
(2)InChI: InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
(3)InChIKey: XXROGKLTLUQVRX-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LDLo | unreported | 4270ug/kg (4.27mg/kg) | BEHAVIORAL: COMA GASTROINTESTINAL: NAUSEA OR VOMITING BLOOD: OTHER CHANGES | Journal of Pharmacology and Experimental Therapeutics. Vol. 25, Pg. 144, 1925. |
frog | LDLo | parenteral | 51mg/kg (51mg/kg) | BEHAVIORAL: EXCITEMENT GASTROINTESTINAL: NAUSEA OR VOMITING | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 296, 1935. |
mammal (species unspecified) | LC50 | inhalation | 1gm/m3 (1000mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988. | |
mammal (species unspecified) | LD50 | oral | 70mg/kg (70mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988. | |
mammal (species unspecified) | LD50 | unreported | 66mg/kg (66mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986. | |
monkey | LCLo | inhalation | 1000ppm/4H (1000ppm) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BLOOD: HEMORRHAGE | JAMA, Journal of the American Medical Association. Vol. 98, Pg. 2269, 1932. |
mouse | LC50 | inhalation | 500mg/m3/2H (500mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 17, 1982. | |
mouse | LD50 | intraperitoneal | 60mg/kg (60mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT BEHAVIORAL: ATAXIA | AMA Archives of Industrial Health. Vol. 18, Pg. 303, 1958. |
mouse | LD50 | intravenous | 78mg/kg (78mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962. | |
mouse | LD50 | oral | 96mg/kg (96mg/kg) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BEHAVIORAL: ATAXIA | AMA Archives of Industrial Health. Vol. 18, Pg. 303, 1958. |
rabbit | LCLo | inhalation | 1000ppm/3.5H (1000ppm) | SENSE ORGANS AND SPECIAL SENSES: IRITIS: EYE BLOOD: HEMORRHAGE LUNGS, THORAX, OR RESPIRATION: DYSPNEA | JAMA, Journal of the American Medical Association. Vol. 98, Pg. 2269, 1932. |
rabbit | LD50 | oral | 52mg/kg (52mg/kg) | National Technical Information Service. Vol. OTS0571508, | |
rabbit | LD50 | skin | 45mg/kg (45mg/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948. | |
rabbit | LDLo | subcutaneous | 100mg/kg (100mg/kg) | "Zur Pharmakologie Ungesattigter Alkohole, Dissertation," Bock, H., Pharmakologischen Institu der Universitat Breslau, Poland, 1930Vol. -, Pg. -, 1930. | |
rat | LC50 | inhalation | 76ppm/8H (76ppm) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | AMA Archives of Industrial Health. Vol. 18, Pg. 303, 1958. |
rat | LD50 | intraperitoneal | 37mg/kg (37mg/kg) | Toxicology and Applied Pharmacology. Vol. 83, Pg. 108, 1986. | |
rat | LD50 | oral | 64mg/kg (64mg/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948. |
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