Product Name

  • Name

    N-PENTYL PROPIONATE

  • EINECS
  • CAS No. 624-54-4
  • Article Data28
  • CAS DataBase
  • Density 0.873 g/mL at 25 °C(lit.)
  • Solubility 706.7mg/L(20 oC)
  • Melting Point -75 °C
  • Formula C8H16 O2
  • Boiling Point 169 °C(lit.)
  • Molecular Weight 144.214
  • Flash Point 133 °F
  • Transport Information
  • Appearance CLEAR COLOURLESS LIQUID
  • Safety Low toxicity by ingestion and skin contact. An eye irritant. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Risk Codes 10
  • Molecular Structure Molecular Structure of 624-54-4 (N-PENTYL PROPIONATE)
  • Hazard Symbols F
  • Synonyms Propionicacid, pentyl ester (6CI,7CI,8CI); Amyl propanoate; Amyl propionate; NSC 7931;Pentyl propanoate; Pentyl propionate; n-Amyl propionate; n-Pentyl propanoate;n-Pentyl propionate
  • PSA 26.30000
  • LogP 2.12980

Synthetic route

pentan-1-ol
71-41-0

pentan-1-ol

propionic acid
802294-64-0

propionic acid

amyl propionate
624-54-4

amyl propionate

Conditions
ConditionsYield
With Rhizomucor miehei lipase In n-heptane at 40℃; for 24h; Enzymatic reaction;96.8%
With sodium hydrogen sulfate for 0.7h; Esterification; Heating;88.5%
With di-isopropyl ether; toluene-4-sulfonic acid for 12h;79.5%
pentan-1-ol
71-41-0

pentan-1-ol

vinyl propionate
105-38-4

vinyl propionate

amyl propionate
624-54-4

amyl propionate

Conditions
ConditionsYield
With lipase B from Candida sp. expressed in Aspergillus niger In aq. buffer for 20h; pH=7.2; Green chemistry; Enzymatic reaction;95.5%
pentan-1-ol
71-41-0

pentan-1-ol

propionyl chloride
79-03-8

propionyl chloride

amyl propionate
624-54-4

amyl propionate

Conditions
ConditionsYield
With zinc In benzene for 0.1h; Esterification;90%
1-Bromopentane
110-53-2

1-Bromopentane

sodium proprionate
137-40-6

sodium proprionate

amyl propionate
624-54-4

amyl propionate

Conditions
ConditionsYield
With Aliquat 336 at 120℃;85%
pentan-1-ol
71-41-0

pentan-1-ol

propionic acid boron fluoride

propionic acid boron fluoride

amyl propionate
624-54-4

amyl propionate

ethene
74-85-1

ethene

pentan-1-ol
71-41-0

pentan-1-ol

carbon monoxide
201230-82-2

carbon monoxide

amyl propionate
624-54-4

amyl propionate

Conditions
ConditionsYield
pyridine; dicobalt octacarbonyl at 160℃; under 90009 Torr; for 2.5h; Kinetics;
With bis(acetylacetonato)palladium(II); 1,1’-ferrocenediyl-bis(tert-butyl(pyridin-2-yl)phosphine); toluene-4-sulfonic acid at 80℃; for 20h; Autoclave; Inert atmosphere;
pentan-1-ol
71-41-0

pentan-1-ol

A

n-pentyl formate
638-49-3

n-pentyl formate

B

amyl propionate
624-54-4

amyl propionate

Conditions
ConditionsYield
With H5V2Mo10O40*34H2O In sulfolane at 80℃; under 750.075 Torr; for 5h; Reactivity; Inert atmosphere;
3-octanone
106-68-3

3-octanone

amyl propionate
624-54-4

amyl propionate

Conditions
ConditionsYield
With AFL838 recombinant BVMO from Aspergillus flavus NRRL3357 In methanol at 20℃; for 2h; pH=8; Reagent/catalyst; Baeyer-Villiger Ketone Oxidation; Enzymatic reaction; regioselective reaction;
With D-Glucose; Aspergillus flavus Baeyer-Villiger monooxygenaseAFL838; nicotinamide adenine dinucleotide phosphate In aq. buffer at 20℃; for 8h; pH=8; Catalytic behavior; Kinetics; Baeyer-Villiger Ketone Oxidation; Enzymatic reaction; regioselective reaction;
3-octanone
106-68-3

3-octanone

A

Ethyl hexanoate
123-66-0

Ethyl hexanoate

B

amyl propionate
624-54-4

amyl propionate

Conditions
ConditionsYield
With D-(+)-glucose In aq. buffer at 15℃; for 16h; Overall yield = 44.3 %;
With glucose dehydrogenase; D-glucose; potassium chloride; NADPH In aq. buffer at 30℃; pH=8.5; Baeyer-Villiger Ketone Oxidation; Enzymatic reaction; regioselective reaction;
pentan-1-ol
71-41-0

pentan-1-ol

N-propionyl-4,6-dimethyl-pyrimidine-2-thione

N-propionyl-4,6-dimethyl-pyrimidine-2-thione

A

amyl propionate
624-54-4

amyl propionate

B

4,6-dimethyl-pyrimidine-2-thione
22325-27-5

4,6-dimethyl-pyrimidine-2-thione

Conditions
ConditionsYield
Heating;
oct-1-ene
111-66-0

oct-1-ene

amyl propionate
624-54-4

amyl propionate

rac-(1S,2S)-1-ethyl-2-hexylcyclopropanol

rac-(1S,2S)-1-ethyl-2-hexylcyclopropanol

Conditions
ConditionsYield
Stage #1: oct-1-ene; amyl propionate With aluminum (III) chloride; zirconocene dichloride; ethylaluminum dichloride; magnesium In tetrahydrofuran at 0 - 22℃; for 10h; Inert atmosphere;
Stage #2: With hydrogenchloride; water In tetrahydrofuran; hexane Inert atmosphere; diastereoselective reaction;
25%
amyl propionate
624-54-4

amyl propionate

dimethyl cis-but-2-ene-1,4-dioate
624-48-6

dimethyl cis-but-2-ene-1,4-dioate

3-Methoxycarbonyl-2-methyl-pentanedioic acid 5-methyl ester 1-pentyl ester
76086-37-8

3-Methoxycarbonyl-2-methyl-pentanedioic acid 5-methyl ester 1-pentyl ester

Conditions
ConditionsYield
With di-tert-butyl peroxide at 164℃; for 6h;24 % Turnov.
amyl propionate
624-54-4

amyl propionate

A

pentan-1-ol
71-41-0

pentan-1-ol

B

propionic acid
802294-64-0

propionic acid

Conditions
ConditionsYield
With Dowex 50Wx4 cation-exchange resin In 1,4-dioxane at 44.84℃; Equilibrium constant; Temperature;
(+/-)-2-pentanol
6032-29-7

(+/-)-2-pentanol

amyl propionate
624-54-4

amyl propionate

1-methylbutyl propanoate
54004-43-2

1-methylbutyl propanoate

Conditions
ConditionsYield
With Novozym 435 at 70℃; Enzymatic reaction; enantioselective reaction;

Amyl propanoate Chemical Properties

Molecular Formula: C8H16O2
Molar mass: 144.21 g/mol
EINECS: 210-852-7
Density: 0.878 g/cm3
Flash Point: 52.4 °C
Index of Refraction: 1.412
Boiling Point: 168.7 °C at 760 mmHg
Vapour Pressure: 1.6 mmHg at 25°C
Melting point: -75 °C
Appearance: Colorless liquid with an apple-like odor
Structure of Amyl propanoate (624-54-4):

XLogP3-AA: 2.4
H-Bond Donor: 0
H-Bond Acceptor: 2
SMILES: O=C(OCCCCC)CC 
InChI: InChI=1/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3 
InChIKey: TWSRVQVEYJNFKQ-UHFFFAOYAA 
Std. InChI: InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3 
Std. InChIKey: TWSRVQVEYJNFKQ-UHFFFAOYSA-N

Amyl propanoate Toxicity Data With Reference

1.    

eye-rbt 100 mg MLD

    JACTDZ    Journal of the American College of Toxicology. 1 (1992),197.
2.    

orl-rat LD50:>14 g/kg

    JACTDZ    Journal of the American College of Toxicology. 1 (1992),197.
3.    

skn-rbt LD50:>14 g/kg

    JACTDZ    Journal of the American College of Toxicology. 1 (1992),197.

Carcinogenicity of Amyl propanoate (624-54-4) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65. And its toxicological properties have not been fully investigated.

Amyl propanoate Consensus Reports

Reported in EPA TSCA Inventory.

Amyl propanoate Safety Profile

Low toxicity by ingestion and skin contact. An eye irritant. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
 

Risk Statements:
10:  Flammable
Safety Statements:
23:  Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
24:  Avoid contact with skin

Amyl propanoate Specification

 Amyl propanoate (624-54-4) also can be called Propanoic acid, pentyl ester ; n-Amyl propionate ; Pentyl propanoate ; n-Pentyl propanoate and n-Pentyl propionate .It is an ester.Heat is also generated by the interaction of esters with caustic solutions.It is hazardous,so the first aid measures and others should be known.Such as: When on the skin: first,should  flush skin with plenty of water immediatelyfor at least 15 minutes while removing contaminated clothing. Secondly,Get shoesmedical aid . Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.Then get medical aid soon.While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : Do not induce vomiting.If victim is conscious and alert, give 2-4 cupfuls of milk or water.If conscious drink water, then induce vomiting. If unconscious, immediately take victim to a physician and do not attempt to induce vomiting.And get medical aid immediately.
In addition, Amyl propanoate (624-54-4) can be stable under normal temperature and pressure conditions.It is not compatible with strong oxidizing agents, and you must not take it with excess heat, strong oxidants and incompatible materials.And also prevent it to broken down into hazardous decomposition products: irritating and toxic fumes and gases, carbon dioxide, carbon monoxide.

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