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109-60-4

Basic Information
CAS No.: 109-60-4
Name: Propyl acetate
Molecular Structure:
Molecular Structure of 109-60-4 (Propyl acetate)
Formula: C5H10O2
Molecular Weight: 102.15
Synonyms: 1-Acetoxypropane;1-Propyl acetate;Acetic acid n-propyl ester;NSC 72025;Propylethanoate;n-Propanol acetate;n-Propyl acetate;Propyl acetate;Acetic acid, propylester;
EINECS: 203-686-1
Density: 0.891 g/cm3
Melting Point: -95 °C
Boiling Point: 101.4 °C at 760 mmHg
Flash Point: 12.8 °C
Solubility: 2g/100 mL (20 °C) in water
Appearance: colourless liquid with a strong odour
Hazard Symbols: FlammableF,IrritantXi
Risk Codes: 11-36-66-67
Safety: 16-26-29-33
Transport Information: UN 1276 3/PG 2
PSA: 26.30000
LogP: 0.95950
Synthetic route
591-87-7

Allyl acetate

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
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%
Reaxys ID: 11464592

Reaxys ID: 11464592

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
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%
Reaxys ID: 11464139

Reaxys ID: 11464139

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
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%
Reaxys ID: 11464128

Reaxys ID: 11464128

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
With hydrogen at 40℃; under 7500.75 Torr;99.1%
With hydrogen at 40℃; under 7500.75 Torr;96.9%
107-87-9

2-Pentanone

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
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
71-23-8

propan-1-ol

75-36-5

acetyl chloride

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
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;
71-23-8

propan-1-ol

64-19-7

acetic acid

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
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%
71-23-8

propan-1-ol

108-24-7

acetic anhydride

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
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.
64-19-7

acetic acid

143885-02-3

propyloxy(diphenyl)-λ6-sulfanenitrile

A

109-60-4

1-Propyl acetate

B

22731-83-5

S,S-diphenylsulphoximine

Conditions
ConditionsYield
In chloroform-d1 at 20℃; for 0.25h;A 89%
B n/a
71-23-8

propan-1-ol

141-78-6

ethyl acetate

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
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.
64-19-7

acetic acid

56-81-5

glycerol

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
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%
1184731-39-2

1-(1-propoxybut-2-ynyl)benzene

A

109-60-4

1-Propyl acetate

B

2315-68-6

propyl benzoate

C

1896-62-4

(E)-benzalacetone

Conditions
ConditionsYield
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%
106-94-5

propyl bromide

64-19-7

acetic acid

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
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%

{(py)3Co3O(OAc)5(μ-O(CH2)2CH3)}{PF6}

A

109-60-4

1-Propyl acetate

B

123-38-6

propionaldehyde

Conditions
ConditionsYield
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%
57-55-6

propylene glycol

64-19-7

acetic acid

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
With indium(III) triflate; iron(III) chloride; tris(triphenylphosphine)ruthenium(II) chloride; hydrogen; triphenylphosphine at 180℃; under 37503.8 Torr; for 12h;41%
93713-40-7

Glycerin-monoacetat

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
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%
64-19-7

acetic acid

116-09-6

hydroxy-2-propanone

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
With indium(III) triflate; iron(III) chloride; tris(triphenylphosphine)ruthenium(II) chloride; hydrogen; triphenylphosphine at 180℃; under 37503.8 Torr; for 12h;30%
71-23-8

propan-1-ol

50-99-7

D-glucose

A

64-18-6

formic acid

B

110-74-7

propyl methanoate

C

109-60-4

1-Propyl acetate

D

124-38-9

carbon dioxide

E

201230-82-2

carbon monoxide

F

64-19-7

acetic acid

Conditions
ConditionsYield
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
102-76-1

triacetylglycerol

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
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%
71-23-8

propan-1-ol

127-08-2

potassium acetate

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
With sulfuric acid
71-23-8

propan-1-ol

127-09-3

sodium acetate

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
With sulfuric acid
111-43-3

Dipropyl ether

507-02-8

acetyl iodide

A

109-60-4

1-Propyl acetate

B

107-08-4

1-iodo-propane

Conditions
ConditionsYield
at 25℃; reagiert analog mit Dimethyl-, Diisopropyl-, Dibutyl und Diisopentylaether;
67809-15-8

N-nitroso-N-propyl-acetamide

A

187737-37-7

propene

B

109-60-4

1-Propyl acetate

C

64-19-7

acetic acid

Conditions
ConditionsYield
at 100℃;
105-66-8

propyl butanoate

108-24-7

acetic anhydride

A

106-31-0

butanoic acid anhydride

B

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
With sulfuric acid
18138-57-3

etSi(On-pr)3

108-24-7

acetic anhydride

A

109-60-4

1-Propyl acetate

B

17689-77-9

ethyl-tris(ethanoyloxy)silane

563-63-3

silver(I) acetate

107-08-4

1-iodo-propane

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
at 100℃;
64-19-7

acetic acid

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
With hydrogenchloride; pyrographite at 375℃; under 514855 Torr;
With phosphoric acid; pyrographite at 110℃;
With boron trifluoride; dibenzoyl peroxide

α.β-bis-n-propyloxy-α-oxy-propane

64-19-7

acetic acid

109-60-4

1-Propyl acetate

67809-15-8

N-nitroso-N-propyl-acetamide

64-19-7

acetic acid

A

108-21-4

Isopropyl acetate

B

109-60-4

1-Propyl acetate

64-19-7

acetic acid

75-19-4

cyclopropane

109-60-4

1-Propyl acetate

Conditions
ConditionsYield
toluene-4-sulfonic acid at 190℃; Kinetics; Thermodynamic data; Product distribution; ΔH(excit.), ΔS(excit.); kinetic isotope effect;100 % Spectr.
With boron trifluoride
109-60-4

1-Propyl acetate

100-79-8

(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol

121348-86-5

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl acetate

Conditions
ConditionsYield
With sodium methylate In methanol at 110℃; for 6h; Reagent/catalyst; Temperature; Solvent;98.4%
109-60-4

1-Propyl acetate

106-89-8

epichlorohydrin

693783-94-7

n-propyl 4,5-epoxypentanoate

Conditions
ConditionsYield
With sodium hydroxide In propan-1-ol for 5h; Time; Reflux;97.48%
109-60-4

1-Propyl acetate

81-25-4

cholic acid

(R)-4-((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3-Acetoxy-7,12-dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid propyl ester

Conditions
ConditionsYield
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%

ethyl-3-O-allyl-2,4,6-tri-O-benzyl-β-D-galactopyranoside

109-60-4

1-Propyl acetate

84553-76-4, 84558-12-3, 127873-81-8, 127873-99-8, 127875-23-4, 127875-30-3

3-O-allyl-2,4,6-tri-O-benzyl-α,β-D-galactopyranoside

Conditions
ConditionsYield
In dichloromethane; toluene89%
619-73-8

4-nitrobenzyl chloride

109-60-4

1-Propyl acetate

619-90-9

4-nitrobenzyl acetate

Conditions
ConditionsYield
With C12F18O13Zn4 at 90℃; for 18h; Inert atmosphere;86%
109-60-4

1-Propyl acetate

55-21-0

benzamide

2315-68-6

propyl benzoate

Conditions
ConditionsYield
With hydrogenchloride; iron(III) chloride hexahydrate In hexane; water at 80℃; for 14h;84%
109-60-4

1-Propyl acetate

83-44-3

Deoxycholic acid

(R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-Acetoxy-12-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid propyl ester

Conditions
ConditionsYield
With water; toluene-4-sulfonic acid for 3.5h; Heating;74%
109-60-4

1-Propyl acetate

3-(tert-butylperoxy)-3-methylindolin-2-one

2-methyl-2-propoxy-2H-benzo[b][1,4]oxazin-3(4H)-one

Conditions
ConditionsYield
With tin(II) trifluoromethanesulfonate at 60℃; for 14h; Criegee Rearrangement; Sealed tube; Inert atmosphere;70%
109-60-4

1-Propyl acetate

2393-23-9

4-methoxy-benzylamine

1-acetoxypropyl 4-methoxybenzoate

Conditions
ConditionsYield
With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide In water at 80℃; for 8h;69%
109-60-4

1-Propyl acetate

100-46-9

benzylamine

1-acetoxypropyl benzoate

Conditions
ConditionsYield
With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide In water at 80℃; for 8h;65%
109-60-4

1-Propyl acetate

57957-24-1

N-(1-phenylvinyl)acetamide

propyl N-acetyl-N-(1-phenylvinyl)glycinate

Conditions
ConditionsYield
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%
491-38-3

1-benzopyran-4(4H)-one

109-60-4

1-Propyl acetate

1-(4-oxochroman-2-yl)propyl acetate

Conditions
ConditionsYield
With di-tert-butyl peroxide; isopropyl alcohol at 120℃; for 12h; Inert atmosphere; Sealed tube; regioselective reaction;64%
109-60-4

1-Propyl acetate

A

71-23-8

propan-1-ol

B

79-21-0

peracetic acid

Conditions
ConditionsYield
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%
109-60-4

1-Propyl acetate

(SS)-2-methyl-N-(2,2,2-trifluoroethylidene)-propane-2-sulfinamide

(S)-propyl 4,4,4-trifluoro-3-((S)-2-methylpropan-2-ylsulfinamido)butanoate

Conditions
ConditionsYield
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%
109-60-4

1-Propyl acetate

104-86-9

4-chlorobenzylamine

1-acetoxypropyl 4-chlorobenzoate

Conditions
ConditionsYield
With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide In water at 80℃; for 8h;56%
109-60-4

1-Propyl acetate

14411-56-4

1-(tert-butyl)-3-ethylbenzene

1329481-49-3

propyl 3-tert-butylbenzoylformate

Conditions
ConditionsYield
With water; hydrogen bromide; oxygen for 20h; Irradiation;52%
101860-74-6

7-chloro-4H-chromen-4-one

109-60-4

1-Propyl acetate

1-(7-chloro-4-oxochroman-2-yl)propyl acetate

Conditions
ConditionsYield
With di-tert-butyl peroxide; isopropyl alcohol at 120℃; for 12h; Inert atmosphere; Sealed tube; regioselective reaction;52%
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    Propyl acetate

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    Propyl acetate

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    Propyl acetate

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  • N-propyl acetate

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    109-60-4

    N-propyl acetate

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  • Propyl acetate

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    Propyl acetate

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Chemistry

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

Uses

  n-Propyl acetate (CAS No.109-60-4) is commonly used as a flavouring additive.

Toxicity Data With Reference

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.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safety Information of n-Propyl acetate (CAS No.109-60-4):
Hazard Codes: FlammableF,IrritantXi
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)

Standards and Recommendations

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

Analytical Methods

For occupational chemical analysis use NIOSH: Esters I, 1450.

Specification

   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.