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Propyl propionate

Propyl propionate structure

Propyl propionate 

structure
  • CAS No:

    106-36-5

  • Formula:

    C6H12O2

  • Chemical Name:

    Propyl propionate

  • Synonyms:

    Propanoic acid,propyl ester;Propionic acid,propyl ester;Propyl propionate;n-Propyl propionate;Propyl propanoate;n-Propyl n-propanoate;NSC 72022

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

Liquid


Liquid|colourless to pale yellow liquid with a fruity (apple, banana, pineapple) odour


Propyl propionate is a propanoate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of propanoic acid. It has a role as a human metabolite, a rat metabolite, a biomarker and a fungal metabolite. It derives from a propan-1-ol.

Propyl propionate Basic Attributes

116.16

116.16

203-389-7

G09TRV00GK

72022

DTXSID4042337

2915509000

Characteristics

26.30000

1.77

Clear colorless Liquid

0.878 g/cm3 @ Temp: 20 °C

-75.9 °C

122.5 °C

76 °F

1.398

soluble in water. (5g/L).

Flammables area

13.94 mmHg

4 (vs air)

1.3%(V)

4.02e-12 cm3/molecule*sec

Safety Information

II

3

UN 3272 3/PG 2

1

10-20-2017/10/20

24

UF7100000

Xn

P210-P261-P370 + P378

H226-H332

|Warning|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P312, P304+P340, P312, P370+P378, P403+P235, and P501|H226 (99.73%): Flammable liquid and vapor [Warning Flammable liquids]|Aggregated GHS information provided by 1878 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Propyl propionate Use and Manufacturing

Uses

Solvent. Gas chromatography analysis standard.


Intermediates


Intermediate

Production

1,000,000 - 10,000,000 lb

All other basic organic chemical manufacturing|Propanoic acid, propyl ester: ACTIVE

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Flavoring Agents

Computed Properties

Molecular Weight:116.16
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:116.083729621
Monoisotopic Mass:116.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Complexity:68.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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