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Cas Database |
| Name |
Propyl acetate |
EINECS | 203-686-1 |
| CAS No. | 109-60-4 | Density | 0.891 g/cm3 |
| PSA | 26.30000 | LogP | 0.95950 |
| Solubility | 2g/100 mL (20 °C) in water | Melting Point |
-95 °C |
| Formula | C5H10O2 | Boiling Point | 101.4 °C at 760 mmHg |
| Molecular Weight | 102.133 | Flash Point | 12.8 °C |
| Transport Information | UN 1276 3/PG 2 | Appearance | colourless liquid with a strong odour |
| Safety | 16-26-29-33 | Risk Codes | 11-36-66-67 |
| Molecular Structure |
|
Hazard Symbols |
 F, Xi
|
| 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; |
Article Data | 165 |
Propyl acetate Synthetic route
| 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% |
- 109-60-4
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% |
- 109-60-4
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% |
- 109-60-4
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. |
- 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 | 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. |
Propyl acetate Chemical Properties
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
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Propyl acetate Uses
n-Propyl acetate (CAS No.109-60-4) is commonly used as a flavouring additive.
Propyl acetate 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. |
Propyl acetate Consensus Reports
Reported in EPA TSCA Inventory.
Propyl acetate Safety Profile
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)
Propyl acetate 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
Propyl acetate Analytical Methods
For occupational chemical analysis use NIOSH: Esters I, 1450.
Propyl acetate 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.
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