Conditions | Yield |
---|---|
With hydrogen In neat (no solvent) at 30℃; for 5h; Catalytic behavior; Flow reactor; | 100% |
With hydrogen; 0.5% Pd/C at 80℃; for 100h; Product distribution / selectivity; | 99.3% |
With hydrogen; 0.3 % Pd/C In water at 40℃; under 6000.6 Torr; Product distribution / selectivity; | 99.97% |
1-Propyl acetate
Conditions | Yield |
---|---|
With hydrogen; 0.5%Pd/SiO2 at 97.5℃; under 15001.5 Torr; | 99.1% |
at 97.5℃; under 6750.68 Torr; | 99.1% |
With hydrogen at 94℃; | 99.3% |
1-Propyl acetate
Conditions | Yield |
---|---|
With hydrogen at 40℃; under 7500.75 Torr; | 99.2% |
With hydrogen; ruthenium on γ-alumina at 40℃; under 15001.5 Torr; | 98.8% |
With hydrogen at 40℃; under 7500.75 Torr; | 96.9% |
With hydrogen; ruthenium on γ-alumina at 40℃; under 7500.75 Torr; | 96.7% |
1-Propyl acetate
Conditions | Yield |
---|---|
With hydrogen at 40℃; under 7500.75 Torr; | 99.1% |
With hydrogen at 40℃; under 7500.75 Torr; | 96.9% |
Conditions | Yield |
---|---|
With Co4HP2Mo15V3O62; N-(4-sulfonic acid)butyl triethylammonium tetrafluoroborate; dihydrogen peroxide at 50℃; for 3h; Green chemistry; | 95% |
With oxygen; 1-(n-butyl)-3-methylimidazolium triflate at 20℃; for 0.25h; Baeyer-Villiger Ketone Oxidation; Electrochemical reaction; Green chemistry; | 94% |
With sec-decanepersulfonic acid In acetonitrile at 17℃; Rate constant; | |
With baeyer-villiger monooxygenases 5 In ethanol at 24℃; for 24h; Reagent/catalyst; Baeyer-Villiger Ketone Oxidation; Enzymatic reaction; | n/a |
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane for 0.0666667h; | 95% |
With zinc(II) chloride at 30℃; for 0.833333h; Neat (no solvent); | 52% |
With 1-methyl-1H-imidazole In acetonitrile at 25℃; Rate constant; Mechanism; acetylation of alcohols with acetyl chloride and acetic anhydride, catalysed by N-methylimidazole; |
Conditions | Yield |
---|---|
at 150℃; for 2.5h; Product distribution; other carboxylic acids, other alcohols, var. temp.; | 94.1% |
at 150℃; for 2.5h; | 94.1% |
With Rhizomucor miehei lipase In n-heptane at 40℃; for 24h; Enzymatic reaction; | 92.4% |
Conditions | Yield |
---|---|
With vitamin B1 supported on silica-encapsulated γ-Fe2O3 nanoparticles In neat (no solvent) at 20℃; for 0.833333h; Green chemistry; | 92% |
With cadmium(II) oxide at 80℃; for 0.166667h; Neat (no solvent); Microwave irradiation; | 91% |
With zinc(II) chloride at 30℃; for 1.33333h; Neat (no solvent); | 62% |
With 1-methyl-1H-imidazole In acetonitrile at 25℃; Rate constant; Mechanism; acetylation of alcohols with acetyl chloride and acetic anhydride, catalysed by N-methylimidazole, acetylation in MeCN-H2O mixtures, dependence of rate constant on solvent composition; | |
With C13H16NO6S2(1+)*HO4S(1-) at 25℃; for 0.05h; Green chemistry; | 99 %Chromat. |
acetic acid
propyloxy(diphenyl)-λ6-sulfanenitrile
A
1-Propyl acetate
B
S,S-diphenylsulphoximine
Conditions | Yield |
---|---|
In chloroform-d1 at 20℃; for 0.25h; | A 89% B n/a |
Conditions | Yield |
---|---|
phosphomolybdic acid hydrate at 65 - 70℃; for 2h; | 77% |
K2CO3 + 5percent Carbowax 6000 at 170℃; | 33 % Chromat. |
With hydrotalcite-like materials supported Ag-Cu catalysts In N,N-dimethyl-formamide at 110℃; for 24h; Green chemistry; | 59 %Spectr. |
Conditions | Yield |
---|---|
With indium(III) triflate; iron(III) chloride; tris(triphenylphosphine)ruthenium(II) chloride; hydrogen; triphenylphosphine at 180℃; under 37503.8 Torr; for 12h; Mechanism; Catalytic behavior; Reagent/catalyst; Temperature; Pressure; | 57% |
1-(1-propoxybut-2-ynyl)benzene
A
1-Propyl acetate
B
propyl benzoate
C
(E)-benzalacetone
Conditions | Yield |
---|---|
With propan-1-ol; (triphenylphosphine)gold(I) chloride; oxygen; silver(I) triflimide In dichloromethane at 25℃; for 24h; | A 57 %Spectr. B 56% C 22% |
Conditions | Yield |
---|---|
With 3,3'-(2,2'-(hexane-1,6-diylbis(azanediyl))bis(2-oxoethane-2,1-diyl))bis(1-propyl-1H-benzo[d]imidazol-3-ium) chloride; triethylamine at 65℃; for 1.33333h; | 55% |
Conditions | Yield |
---|---|
With dimethyl terephthalate In chlorobenzene in a thickwall glass ampule, after filled with the substances evacuated, filled with argon three times, sealed under vacuum, shaked in a oil bath at 150°C for 17 h, cooled; gas chromatography; | A 13% B 42% |
Conditions | Yield |
---|---|
With indium(III) triflate; iron(III) chloride; tris(triphenylphosphine)ruthenium(II) chloride; hydrogen; triphenylphosphine at 180℃; under 37503.8 Torr; for 12h; | 41% |
Glycerin-monoacetat
1-Propyl acetate
Conditions | Yield |
---|---|
With indium(III) triflate; iron(III) chloride; tris(triphenylphosphine)ruthenium(II) chloride; hydrogen; triphenylphosphine In acetic acid at 180℃; under 37503.8 Torr; for 12h; | 39% |
Conditions | Yield |
---|---|
With indium(III) triflate; iron(III) chloride; tris(triphenylphosphine)ruthenium(II) chloride; hydrogen; triphenylphosphine at 180℃; under 37503.8 Torr; for 12h; | 30% |
propan-1-ol
D-glucose
A
formic acid
B
propyl methanoate
C
1-Propyl acetate
D
carbon dioxide
E
carbon monoxide
F
acetic acid
Conditions | Yield |
---|---|
With H8[PMo7V5O40]; oxygen In water at 90℃; under 15001.5 Torr; for 24h; Autoclave; | A n/a B n/a C n/a D 24% E 21% F n/a |
Conditions | Yield |
---|---|
With indium(III) triflate; iron(III) chloride; tris(triphenylphosphine)ruthenium(II) chloride; hydrogen; triphenylphosphine In acetic acid at 180℃; under 37503.8 Torr; for 12h; | 15% |
Conditions | Yield |
---|---|
With sulfuric acid |
Conditions | Yield |
---|---|
With sulfuric acid |
Dipropyl ether
acetyl iodide
A
1-Propyl acetate
B
1-iodo-propane
Conditions | Yield |
---|---|
at 25℃; reagiert analog mit Dimethyl-, Diisopropyl-, Dibutyl und Diisopentylaether; |
N-nitroso-N-propyl-acetamide
A
propene
B
1-Propyl acetate
C
acetic acid
Conditions | Yield |
---|---|
at 100℃; |
propyl butanoate
acetic anhydride
A
butanoic acid anhydride
B
1-Propyl acetate
Conditions | Yield |
---|---|
With sulfuric acid |
etSi(On-pr)3
acetic anhydride
A
1-Propyl acetate
B
ethyl-tris(ethanoyloxy)silane
Conditions | Yield |
---|---|
at 100℃; |
Conditions | Yield |
---|---|
With hydrogenchloride; pyrographite at 375℃; under 514855 Torr; | |
With phosphoric acid; pyrographite at 110℃; | |
With boron trifluoride; dibenzoyl peroxide |
N-nitroso-N-propyl-acetamide
acetic acid
A
Isopropyl acetate
B
1-Propyl acetate
Conditions | Yield |
---|---|
toluene-4-sulfonic acid at 190℃; Kinetics; Thermodynamic data; Product distribution; ΔH(excit.), ΔS(excit.); kinetic isotope effect; | 100 % Spectr. |
With boron trifluoride |
1-Propyl acetate
(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl acetate
Conditions | Yield |
---|---|
With sodium methylate In methanol at 110℃; for 6h; Reagent/catalyst; Temperature; Solvent; | 98.4% |
Conditions | Yield |
---|---|
With sodium hydroxide In propan-1-ol for 5h; Time; Reflux; | 97.48% |
Conditions | Yield |
---|---|
With water; toluene-4-sulfonic acid for 6h; Product distribution; Heating; one-pot esterification and selective 3α-acetylation of cholic and deoxycholic acid with ethyl, propyl and butyl acetates; | 95% |
With water; toluene-4-sulfonic acid for 6h; Heating; | 95% |
1-Propyl acetate
3-O-allyl-2,4,6-tri-O-benzyl-α,β-D-galactopyranoside
Conditions | Yield |
---|---|
In dichloromethane; toluene | 89% |
Conditions | Yield |
---|---|
With C12F18O13Zn4 at 90℃; for 18h; Inert atmosphere; | 86% |
Conditions | Yield |
---|---|
With hydrogenchloride; iron(III) chloride hexahydrate In hexane; water at 80℃; for 14h; | 84% |
Conditions | Yield |
---|---|
With water; toluene-4-sulfonic acid for 3.5h; Heating; | 74% |
1-Propyl acetate
Conditions | Yield |
---|---|
With tin(II) trifluoromethanesulfonate at 60℃; for 14h; Criegee Rearrangement; Sealed tube; Inert atmosphere; | 70% |
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide In water at 80℃; for 8h; | 69% |
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide In water at 80℃; for 8h; | 65% |
1-Propyl acetate
N-(1-phenylvinyl)acetamide
Conditions | Yield |
---|---|
With 1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane; sodium t-butanolate at 20℃; for 24h; Inert atmosphere; regioselective reaction; | 65% |
Conditions | Yield |
---|---|
With di-tert-butyl peroxide; isopropyl alcohol at 120℃; for 12h; Inert atmosphere; Sealed tube; regioselective reaction; | 64% |
Conditions | Yield |
---|---|
With dihydrogen peroxide; cation exchanger KU-2 x 8 In 1,4-dioxane at 29.9℃; Rate constant; Kinetics; Equilibrium constant; other temperature, other ratio; | A n/a B 63% |
1-Propyl acetate
Conditions | Yield |
---|---|
Stage #1: 1-Propyl acetate With lithium diisopropyl amide In tetrahydrofuran; toluene at -78℃; for 1h; Inert atmosphere; Stage #2: (SS)-2-methyl-N-(2,2,2-trifluoroethylidene)-propane-2-sulfinamide In tetrahydrofuran; toluene at -78 - 20℃; for 2h; Inert atmosphere; diastereoselective reaction; | 63% |
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide In water at 80℃; for 8h; | 56% |
1-Propyl acetate
1-(tert-butyl)-3-ethylbenzene
propyl 3-tert-butylbenzoylformate
Conditions | Yield |
---|---|
With water; hydrogen bromide; oxygen for 20h; Irradiation; | 52% |
7-chloro-4H-chromen-4-one
1-Propyl acetate
Conditions | Yield |
---|---|
With di-tert-butyl peroxide; isopropyl alcohol at 120℃; for 12h; Inert atmosphere; Sealed tube; regioselective reaction; | 52% |
Molecular Structure of n-Propyl acetate (CAS No.109-60-4):
Molecular Formula: C5H10O2
Molecular Weight: 102.1317
IUPAC Name: Propyl acetate
CAS No: 109-60-4
EINECS: 203-686-1
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.387
Molar Refractivity: 26.98 cm3
Molar Volume: 114.5 cm3
Surface Tension: 24.8 dyne/cm
Density: 0.891 g/cm3
Flash Point: 12.8 °C
Enthalpy of Vaporization: 34.06 kJ/mol
Boiling Point: 101.4 °C at 760 mmHg
Melting Point: -95 ºC
Refractive Index: 1.383-1.385
Storage Temp.: Flammables area
Vapour Pressure: 35.2 mmHg at 25°C
Water Solubility: 2g/100 mL (20 ºC)
Stability n-Propyl acetate (CAS No.109-60-4): Stable. Highly flammable. May react violently with oxidizing agents. May form explosive mixtures with air. Incompatible with strong oxidizing agents, acids, bases.
Classification Code: Human Data ; Skin/Eye Irritant
Product Categories: Organics;Carbon Steel Flex-Spout Cans;Amber Glass Bottles;ReagentPlus(R) Solvent Grade Products;ReagentPlus(R)Semi-Bulk Solvents;ReagentPlus(R)Solvents;Solvent Bottles;Alphabetical Listings;Certified Natural ProductsFlavors and Fragrances;Flavors and Fragrances;O-P;Alpha Sort;Analytical Standards;Chemical Class;EstersVolatiles/ Semivolatiles;P;PON - PT;P-SAlphabetic
n-Propyl acetate (CAS No.109-60-4) is commonly used as a flavouring additive.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LCLo | inhalation | 38gm/m3/5H (38000mg/m3) | BEHAVIORAL: GENERAL ANESTHETIC GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS BLOOD: OTHER CHANGES | Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. |
cat | LDLo | subcutaneous | 3gm/kg (3000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. |
guinea pig | LDLo | subcutaneous | 3gm/kg (3000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. |
human | TCLo | inhalation | 1000mg/m3 (1000mg/m3) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: COUGH LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. |
mouse | LD50 | intraperitoneal | 1420mg/kg (1420mg/kg) | Shell Chemical Company. Unpublished Report. Vol. -, Pg. 8, 1961. | |
mouse | LD50 | oral | 8300mg/kg (8300mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
rabbit | LD50 | oral | 6640mg/kg (6640mg/kg) | Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. | |
rabbit | LD50 | skin | > 20mL/kg (20mL/kg) | Union Carbide Data Sheet. Vol. 1/25/1965, | |
rat | LCLo | inhalation | 8000ppm/4H (8000ppm) | American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. | |
rat | LD50 | oral | 9370mg/kg (9370mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
Reported in EPA TSCA Inventory.
Safety Information of n-Propyl acetate (CAS No.109-60-4):
Hazard Codes: F,Xi
Risk Statements: 11-36-66-67
R11:Highly flammable.
R36:Irritating to eyes.
R66:Repeated exposure may cause skin dryness or cracking.
R67:Vapours may cause drowsiness and dizziness.
Safety Statements: 16-26-29-33
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S29:Do not empty into drains.
S33:Take precautionary measures against static discharges.
RIDADR: UN 1276 3/PG 2
WGK Germany: 1
RTECS: AJ3675000
Hazard Note: Irritant/Highly Flammable
HazardClass: 3
PackingGroup: II
Hazardous Substances Data: 109-60-4(Hazardous Substances Data)
OSHA PEL: TWA 200 ppm; STEL 250 ppm
ACGIH TLV: TWA 200 ppm; STEL 250 ppm
DFG MAK: 200 ppm (850 mg/m3)
DOT Classification: 3; Label: Flammable Liquid
For occupational chemical analysis use NIOSH: Esters I, 1450.
n-Propyl acetate (CAS No.109-60-4), it also can be called Propyl acetate ; Acetic acid propyl ester . It is colourless liquid with a strong odour. It is an ester, highly flammable liquid, moderately toxic. Dangerous fire hazard when exposed to heat, flame, sparks, or strong oxidizers. When heated to decomposition Propyl acetate emits acrid smoke and irritating fumes.
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