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109-60-4

Basic Information
CAS No.: 109-60-4
Name: Propyl acetate
Article Data: 165
Cas Database
Molecular Structure:
Molecular Structure of 109-60-4 (Propyl acetate)
Formula: C5H10O2
Molecular Weight: 102.133
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.
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    Overview Quick Details CAS No.: 109-60-4 Other Names: Propyl acetate MF: C5H10O2

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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.