Conditions | Yield |
---|---|
Stage #1: acetic acid In water at 800℃; Stage #2: acetone In water for 1h; Temperature; | 99.5% |
propene
palladium diacetate
A
Isopropenyl acetate
B
Allyl acetate
C
1-propenyl acetate
Conditions | Yield |
---|---|
With p-benzoquinone; bis(triphenylphosphoranylidene)-ammonium acetate In acetic acid at 25℃; under 760 Torr; for 3h; Oxidation; acylation; | A 0.986 mol B 0.009% C 0.005% |
With p-benzoquinone; bis(triphenylphosphoranylidene)-ammonium acetate In chloroform at 25℃; under 760 Torr; for 3h; Oxidation; acylation; | A 0.01% B 0.99 mol C 0.01% |
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate; mercury(II) oxide |
Conditions | Yield |
---|---|
With sulfuric acid at 55 - 70℃; | |
With 2-sulfo-acetoacetic acid | |
With naphthalene-1,5-disulfonate at 80℃; |
Conditions | Yield |
---|---|
Reversible Isomerisierung; |
propene
acetic acid
A
Isopropenyl acetate
B
Allyl acetate
C
2-hydroxypropyl acetate
D
6-hydroxy-3-oxa-2-hexanone
E
propane-1,2-diol 2-monoacetate
F
(E)-1-propen-1-yl acetate
Conditions | Yield |
---|---|
With bis(acetonitrile)chloronitropalladium(II) at 25℃; for 2h; Product distribution; various catalysts, times, O2 atmosphere with 18O containing complex; further products; |
propene
palladium diacetate
A
Isopropenyl acetate
B
Allyl acetate
C
(E)-1-propen-1-yl acetate
D
acetone
Conditions | Yield |
---|---|
In carbon dioxide at 25℃; under 68400 Torr; for 3h; Product distribution; Mechanism; var. solv. and temp.; |
Ketene
sulfuric acid
acetone
A
4-methyleneoxetan-2-one
B
Isopropenyl acetate
C
acetic anhydride
Conditions | Yield |
---|---|
at 55℃; |
Ketene
acetone
A
4-methyleneoxetan-2-one
B
Isopropenyl acetate
C
acetic anhydride
Conditions | Yield |
---|---|
at 100℃; |
propene
A
Isopropenyl acetate
B
Allyl acetate
C
1-propenyl acetate
D
acetone
Conditions | Yield |
---|---|
In chloroform at 25℃; Product distribution; Further Variations:; Solvents; Reagents; oxidative acetoxylation; |
Conditions | Yield |
---|---|
With oxygen; Pd147(o-phenanthroline)32O60(OC(O)tBu)30 at 60℃; Kinetics; Further Variations:; Catalysts; |
(1-benzotriazolyl)-5 pentanone-2
B
Isopropenyl acetate
Conditions | Yield |
---|---|
With Saccharomyces cerevisiae; ammonium sulfate; magnesium chloride In water; toluene at 30℃; for 48h; |
Conditions | Yield |
---|---|
Stage #1: propen-2-ol With triethylamine In 1,2-dichloro-ethane at 20℃; for 0.0833333h; Stage #2: acetyl chloride In 1,2-dichloro-ethane |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid Reflux; |
3-Methyl-3-buten-2-one
A
Isopropenyl acetate
B
methacrylic acid methyl ester
Conditions | Yield |
---|---|
With wild type cyclohexanonemonooxygenase T56S/I491A mutant from Acinetobacter calcoaceticus; NADPH In aq. phosphate buffer at 25℃; for 5.5h; pH=7; Baeyer-Villiger Ketone Oxidation; Enzymatic reaction; regioselective reaction; |
Isopropenyl acetate
menadione
Acetic acid (1S,2aR,8aR)-1,8a-dimethyl-3,8-dioxo-1,2,2a,3,8,8a-hexahydro-cyclobuta[b]naphthalen-1-yl ester
Conditions | Yield |
---|---|
In benzene for 1h; Irradiation; | 100% |
Isopropenyl acetate
(1R*,3S*,3aS*,4R*,5R*,7aS*)-1-acetoxy-5-bromo-3,3a-epoxy-4-hydroxy-4,7a-dimethyl-1,3,3a,4,5,6,7,7a-octahydro-2H-inden-2-one
(1R*,3R*,3aS*,4R*,5R*,7aS*)-1,4-diacetoxy-5-bromo-3,3a-epoxy-4,7a-dimethyl-1,3,3a,4,5,6,7,7a-octahydro-2H-inden-2-one
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid for 48h; Ambient temperature; | 100% |
Isopropenyl acetate
3-isopropyl-2,4-dimethylaziridine
3-acetamido-2,4-dimethylpent-1-ene
Conditions | Yield |
---|---|
at 220℃; for 4h; in sealed, base-washed Pyrex tube; | 100% |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid for 72h; Heating; | 100% |
Conditions | Yield |
---|---|
With sodium aluminum tetrahydride In tetrahydrofuran at 0℃; for 1h; | 100% |
Conditions | Yield |
---|---|
With subtilisin 8350 In N,N-dimethyl-formamide at 45℃; for 36h; | 100% |
Conditions | Yield |
---|---|
With potassium carbonate; Aliquat 336 In neat (no solvent) at 70℃; for 0.5h; | A n/a B 100% |
With potassium carbonate; Aliquat 336 In neat (no solvent) at 70℃; for 0.5h; Product distribution; | A n/a B 100% |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In toluene for 10h; Heating; | 100% |
Isopropenyl acetate
Conditions | Yield |
---|---|
With PS-30 lipase Yields of byproduct given; | A n/a B n/a C 100% |
Isopropenyl acetate
methyl 12α-acetoxy-3-oxo-4-cholen-24-oate
3.12α-diacetoxy-choladien-(3.5)-oic acid-(24)-methyl ester
Conditions | Yield |
---|---|
With sulfuric acid Heating; | 100% |
Isopropenyl acetate
Conditions | Yield |
---|---|
With Pseudomonas cepacia lipase In various solvent(s) at 40℃; for 144h; | 100% |
Isopropenyl acetate
1-(Tribromomethyl)cyclooctan-1-ol
1-(Tribromomethyl)-1-acetoxycyclooctane
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid at 30℃; Acetylation; | 100% |
Conditions | Yield |
---|---|
Y5(OiPr)13O at 20℃; for 1h; Acetylation; transesterification; | 100% |
With indium(III) perchlorate; lithium perchlorate In ethyl acetate at 20℃; for 0.75h; | 99% |
With iodine at 85 - 90℃; for 0.0833333h; | 98% |
Isopropenyl acetate
(+/-)-3-hydroxy-2-propionyl-isoindolin-1-one
Conditions | Yield |
---|---|
With Alcaligenes species lipase QL In hexane at 60℃; for 1h; | 100% |
Isopropenyl acetate
(+/-)-3-hydroxy-2-isobutyryl-isoindolin-1-one
Conditions | Yield |
---|---|
With Alcaligenes species lipase QL In hexane at 60℃; for 1h; | 100% |
Isopropenyl acetate
(+/-)-2-butyryl-3-hydroxy-isoindolin-1-one
Conditions | Yield |
---|---|
With Alcaligenes species lipase QL In hexane at 60℃; for 1h; | 100% |
Isopropenyl acetate
(+/-)-3-hydroxy-2-pivaloyl-isoindolin-1-one
Conditions | Yield |
---|---|
With Alcaligenes species lipase QL In hexane at 60℃; for 1h; | 100% |
Conditions | Yield |
---|---|
Stage #1: para-bromotoluene With magnesium; lithium chloride In tetrahydrofuran at 0 - 20℃; for 2h; Schlenk technique; Inert atmosphere; Stage #2: Isopropenyl acetate With iron(III) chloride In tetrahydrofuran at 0℃; for 3h; Schlenk technique; Inert atmosphere; | 100% |
With [2,2]bipyridinyl; tetrabutylammonium tetrafluoroborate; cobalt(II) bromide In pyridine; acetonitrile at 20℃; Electrolysis; | 47% |
Stage #1: para-bromotoluene With magnesium; lithium chloride In tetrahydrofuran at 0 - 20℃; for 2h; Schlenk technique; Inert atmosphere; Stage #2: Isopropenyl acetate With iron(III) chloride In tetrahydrofuran at 0℃; for 5h; Reagent/catalyst; Schlenk technique; Inert atmosphere; |
Isopropenyl acetate
Conditions | Yield |
---|---|
With Alcaligenes species lipase QL In hexane at 60℃; for 1h; | 100% |
4-(2'-chloroethyl)-7aR-ethyl-1,2,3,6,7,7a-hexahydroinden-5-one
Isopropenyl acetate
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid for 1.5h; Heating; | 100% |
C31H46O10
Isopropenyl acetate
Octanoic acid (2aS,5aS,7S,7aR,8S,9S,10bS,10cR)-7-acetoxy-10c-hydroxy-2a,4,4,7,10-pentamethyl-9-((Z)-2-methyl-but-2-enoyloxy)-2-oxo-2,2a,5a,6,7,7a,8,9,10b,10c-decahydro-1,3,5-trioxa-benzo[cd]cyclopenta[h]azulen-8-yl ester
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid at 20℃; for 1.75h; | 100% |
With toluene-4-sulfonic acid at 20℃; for 1.75h; | 100% |
methyl (1-adamantanyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-2-thio-D-glycero-β-D-galacto-non-2-ulopyranosid)onate
Isopropenyl acetate
Conditions | Yield |
---|---|
With camphor-10-sulfonic acid at 65℃; for 16h; | 100% |
Conditions | Yield |
---|---|
toluene-4-sulfonic acid Reflux; | 100% |
Conditions | Yield |
---|---|
In neat (no solvent) at 20℃; for 3h; Green chemistry; | 100% |
With iron(III) trifluoromethanesulfonate at 20℃; for 24h; Schlenk technique; | 73% |
at 60℃; for 3h; |
Conditions | Yield |
---|---|
at 60℃; for 3h; | 100% |
at 60℃; for 3h; |
Conditions | Yield |
---|---|
In neat (no solvent) at 20℃; for 3h; Green chemistry; | 100% |
at 60℃; for 3h; |
Isopropenyl acetate
2-Amino-1-phenylethanol
N-(2-hydroxy-2-phenylethyl)acetamide
Conditions | Yield |
---|---|
In neat (no solvent) at 20℃; for 24h; Green chemistry; | 100% |
at 60℃; for 3h; | |
at 20℃; for 24h; | 0.179 g |
3,5-dimethoxybenzylamine
Isopropenyl acetate
N-acetyl-3,5-dimethoxybenzylamine
Conditions | Yield |
---|---|
In neat (no solvent) at 20℃; for 0.333333h; Green chemistry; | 100% |
Isopropenyl acetate
3,4-difluorobenzylamine
N-(3,4-difluorobenzyl)acetamide
Conditions | Yield |
---|---|
In neat (no solvent) at 20℃; for 2h; Green chemistry; | 100% |
Isopropenyl acetate
3,4-dichlorobenzyl amine
N‐(3,4‐dichlorobenzyl)acetamide
Conditions | Yield |
---|---|
In neat (no solvent) at 20℃; for 2h; Green chemistry; | 100% |
Product Name: Isopropenyl acetate (CAS NO.108-22-5)
Molecular Formula: C5H8O2
Molecular Weight: 100.12g/mol
Mol File: 108-22-5.mol
Einecs: 203-562-7
Appearance: A clear colorless liquid
Melting Point: -93 °C
Boiling point: 97 °C at 760 mmHg
Storage Temperature: Flammables area
Flash Point: 12.9 °C
Density: 0.914 g/cm3
Refractive index: n20/D 1.401(lit.)
Water Solubility: 34 g/L (20 ºC)
Surface Tension: 23.5 dyne/cm
Enthalpy of Vaporization: 33.65 kJ/mol
Vapour Pressure: 42.5 mmHg at 25°C
XLogP3-AA: 1
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Isopropenyl acetate (CAS NO.108-22-5):
IUPAC Name: prop-1-en-2-yl acetate
Canonical SMILES: CC(=C)OC(=O)C
InChI: InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3
InChIKey: HETCEOQFVDFGSY-UHFFFAOYSA-N
GB 2760 - 1996 provided Isopropenyl acetate (CAS NO.108-22-5) allows the use of food spices. It is mainly used in the preparation of rum flavor and fruit flavor of the solvent, may also be used for solvent extraction.It is mainly used in medicine in Fuqing Song solvent refined products.
May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
1. | eye-rbt 500 mg/24H MLD | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,355. | ||
2. | eye-rbt 500 mg MOD | AJOPAA American Journal of Ophthalmology. 29 (1946),1363. | ||
3. | orl-rat LD50:3000 mg/kg | JIHTAB Journal of Industrial Hygiene and Toxicology. 31 (1949),60. |
Reported in EPA TSCA Inventory.
HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. May polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
Safety Information of Isopropenyl acetate (CAS NO.108-22-5):
Hazard Codes: F
Risk Statements: 11
11: Highly Flammable
Safety Statements: 9-16-29-33
9: Keep container in a well-ventilated place
16: Keep away from sources of ignition - No smoking
29: Do not empty into drains
33: Take precautionary measures against static discharges
DOT Classification: 3; Label: Flammable Liquid
Isopropenyl acetate ,its CAS NO. is 108-22-5,the synonyms are 1-Acetoxy-1-methylethylene ; 1-Propen-2-yl acetate ; 1-Propen-2-ylacetate ; 2-Acetoxypropene ; 2-Acetoxypropylene ; Acetated'isopropenyle ; Acetic acid 1-methylethenyl ester ; Isopropenylester kyseliny octove .
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