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106-36-5

Basic Information
CAS No.: 106-36-5
Name: Propanoic acid, propylester
Article Data: 117
Molecular Structure:
Molecular Structure of 106-36-5 (Propanoic acid, propylester)
Formula: C6H12O2
Molecular Weight: 116.16
Synonyms: Propionicacid, propyl ester (6CI,8CI);NSC 72022;Propyl propanoate;n-Propyl n-propanoate;n-Propyl propionate;
EINECS: 203-389-7
Density: 0.886 g/cm3
Melting Point: -76 °C(lit.)
Boiling Point: 121.9 °C at 760 mmHg
Flash Point: 19.4 °C
Appearance: Clear colorless liquid
Hazard Symbols: HarmfulXn
Risk Codes: 10-20
Safety: 24
Transport Information: UN 3272 3/PG 2
PSA: 26.30000
LogP: 1.34960
Synthetic route
71-23-8

propan-1-ol

106-36-5

propyl propionate

Conditions
ConditionsYield
With dihydrogen peroxide; bromine In dichloromethane; water at 20℃; for 2h;99%
With water; potassium iodide at 20℃; for 3h; Electrochemical reaction; Green chemistry;72%
With calcium dichloride dihydrate; oxone; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; water In dichloromethane at 20℃; for 4h;72%
123-38-6

propionaldehyde

106-36-5

propyl propionate

Conditions
ConditionsYield
With [{(PhN)MeC(Nt-Bu)}AlMe(μ-OMe)]2 at 20℃; for 0.5h; Tishchenko-Claisen Dismutation; Inert atmosphere; Schlenk technique; Green chemistry;99%
With aluminium propanolate
With Mg-tetrakis(methoxy)borate; mercury dichloride In diethyl ether
With Rh(PhBP3)(H)2(NCMe) In benzene-d6 at 20℃; for 0.0166667h; Tishchenko reaction; Inert atmosphere;
71-23-8

propan-1-ol

802294-64-0

propionic acid

106-36-5

propyl propionate

Conditions
ConditionsYield
With Dowex 50Wx2 hydrogen form resin at 108 - 113℃; Reagent/catalyst; Autoclave; Large scale;97.36%
With salicylic acid resin supported FeCl3 In benzene at 125℃; for 2.11667h;95.8%
With Rhizomucor miehei lipase In n-heptane at 40℃; for 24h; Enzymatic reaction;95.3%
637-27-4

phenyl propionate

A

53729-69-4, 21329-67-9

HCo(CO)(P(C6H5)3)3

B

106-36-5

propyl propionate

C

91583-66-3

phenoxotris(triphenylphosphine)cobalt(I)

D

74-84-0

ethane

E

7727-37-9

nitrogen

Conditions
ConditionsYield
In toluene byproducts: H2; EtCO2Ph added to CoH(N2)(PPh3)3 in toluene in vac., reacted for 3 days at room temp.; liquid phase analysed by GLC; hexane added, ppt. filtered, washed with hexane, dried in vac., recrystd. from C6H6-hexane;A n/a
B 33%
C 62%
D 23%
E 85%
123-62-6

propionic acid anhydride

A

99668-70-9

Co(1+)*C2H5CO2(1-)=Co(OCOC2H5)

B

106-36-5

propyl propionate

C

74-84-0

ethane

D

7727-37-9

nitrogen

E

1333-74-0

hydrogen

Conditions
ConditionsYield
In toluene in toluene at room temp. for 1 day;A n/a
B 28%
C 26%
D 84%
E 15%
25538-50-5

normal propyl hypochlorite

106-36-5

propyl propionate

Conditions
ConditionsYield
In tetrachloromethane for 4h; Irradiation;75%
In benzene Ambient temperature; Irradiation;75%
16844-98-7

trimethylsilyl propionate

106-36-5

propyl propionate

Conditions
ConditionsYield
With hydrogen; chromium(III) oxide; nickel(III) oxide
79-03-8

propionyl chloride

106-36-5

propyl propionate

Conditions
ConditionsYield
With triphenylstannane
71-23-8

propan-1-ol

A

106-36-5

propyl propionate

B

123-38-6

propionaldehyde

Conditions
ConditionsYield
With dodecacarbonyl-triangulo-triruthenium; diphenyl acetylene at 145℃; for 4h; Product distribution; Mechanism; other alcohols; other reagents; var. time;
With [Ru(1,2-bis(diphenylphosphino)benzene )(CO)2Cl2]; potassium tert-butylate; acetone In toluene at 100℃; for 6h;A 68 %Chromat.
B 8 %Chromat.
With [Ru(1,2-bis(diphenylphosphino)benzene )(CO)2Cl2]; potassium tert-butylate; acetone In toluene at 100℃; for 6h;A 29 %Chromat.
B 62 %Chromat.
614-45-9

tert-Butyl peroxybenzoate

4073-85-2

aluminium propanolate

A

71-23-8

propan-1-ol

B

106-36-5

propyl propionate

C

2315-68-6

propyl benzoate

D

75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
In benzene at 20℃; for 336h; Product distribution; Mechanism; other temperature and time;
20 deg C, 3 d, then 70 deg C, 30 h; Yield given. Yields of byproduct given;
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Chemistry

Molecular Structure:

Molecular Formula: C6H12O2
Molecular Weight: 116.1583
IUPAC Name: Propyl propanoate
Synonyms of Propyl propionate (CAS NO.106-36-5): 4-02-00-00707 (Beilstein Handbook Reference) ; AI3-24357 ; BRN 1699993 ; EINECS 203-389-7 ; FEMA No. 2958 ; NSC 72022 ; Propanoic acid, propyl ester ; Propionic acid, propyl ester ; Propyl propanoate ; Propyl propionate (natural) ; Propylester kyseliny propionove ; Propylester kyseliny propionove [Czech] ; n-Propyl propanoate ; n-Propyl propionate
CAS NO: 106-36-5
Classification Code: Skin / Eye Irritant
Melting point: −76 °C 
Index of Refraction: 1.397
Molar Refractivity: 31.62 cm3
Molar Volume: 131 cm3
Surface Tension: 25.8 dyne/cm
Density: 0.886 g/cm3
Flash Point: 19.4 °C
Enthalpy of Vaporization: 35.54 kJ/mol
Boiling Point: 121.9 °C at 760 mmHg
Vapour Pressure: 14.3 mmHg at 25°C

Uses

  Propyl propionate (CAS NO.106-36-5) is used in the coating printing ink profession one fine resolver.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 16900mg/m3 (16900mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mouse LC50 inhalation 24gm/m3/2H (24000mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 104, 1982.
rabbit LD50 oral 3950mg/kg (3950mg/kg)   Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
rabbit LD50 skin > 14128mg/kg (14128mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 177, 1992.
rat LD50 oral 10331mg/kg (10331mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes of Propyl propionate (CAS NO.106-36-5): HarmfulXn
Risk Statements: 10-20 
R10: Flammable. 
R20: Harmful by inhalation.
Safety Statements: 24 
S24: Avoid contact with skin.
RIDADR: UN 3272 3/PG 2
WGK Germany: 1
RTECS: UF7100000
HazardClass: 3
PackingGroup: II
Moderately toxic by ingestion. Very mildly toxic by inhalation. A skin irritant. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.