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Propyl butyrate

Propyl butyrate structure

Propyl butyrate 

structure
  • CAS No:

    105-66-8

  • Formula:

    C7H14O2

  • Chemical Name:

    Propyl butyrate

  • Synonyms:

    Butanoic acid,propyl ester;Butyric acid,propyl ester;Propyl butyrate;Propyl n-butyrate;Propyl butanoate;n-Propanol butyrate;n-Propyl butanoate

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

Liquid


Liquid|colourless liquid with a pineapple, apricot odour


Propyl butyrate is a butyrate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of butyric acid. It has a role as a human metabolite, a plant metabolite and an insect attractant. It derives from a propan-1-ol.

Propyl butyrate Basic Attributes

130.185

130.18

203-320-0

CW590750SQ

DTXSID6059318

2915600000

Characteristics

26.30000

2.30

Liquid

0.9±0.1 g/cm3

-95.2 °C

143 °C

38.9±0.0 °C

1.406

1.62 mg/mL at 17 °C

Flammables area

5.96 mmHg

7.41e-12 cm3/molecule*sec

Safety Information

III

3.2

UN 3272 3/PG 3

2

R10;R36/37/38

S16-S26-S36

ET6200000

Xi:Irritant;

P261-P305 + P351 + P338

H226-H315-H319-H335

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1498 companies from 7 notifications to the ECHA C&L Inventory.

Propyl butyrate Use and Manufacturing

Butanoic 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:130.18
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:130.099379685
Monoisotopic Mass:130.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:79
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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