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HomeProduct name listOCTYL ISOBUTYRATE

OCTYL ISOBUTYRATE

  • CAS NO.:109-15-9
  • Empirical Formula: C12H24O2
  • Molecular Weight: 200.32
  • MDL number: MFCD00048933
  • EINECS: 203-651-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-05-25 18:01:05
OCTYL ISOBUTYRATE Structural

What is OCTYL ISOBUTYRATE?

Description

Octyl isobutyrate has a fruity, fatty fragrance with a soft and humid undertone reminiscent of parsley and fern root with a sweet flavor suggestive of grape. May be prepared by esterification of n-octanol with isobutyric acid.

Chemical properties

Octyl isobutyrate has a fruity, fatty fragrance with a soft and humid undertone reminiscent of parsley and fern root. It has a sweet flavor suggestive of grape.

Occurrence

Reported found among the volatile components of hop. Also reported found in grapefruit juice and babaco fruit (Carica pentagona Heilborn).

The Uses of OCTYL ISOBUTYRATE

Octyl isobutyrate is used in imitation Pistacio, Grape, Melon, Peach, Citrus complexes, fruit blends, wine and Liqueur flavors, ect. The concentration is normally about 2 to 4 ppm in the finished product.

Preparation

Esterification of n-octanol with isobutyric acid.

Definition

ChEBI: Octyl 2-methyl-propionyl is a carboxylic ester.

Aroma threshold values

Detection: 6 ppb

Taste threshold values

Taste characteristics at 30 ppm: creamy, waxy, fruity, earthy and fatty.

Metabolism

Isobutyrates are hydrolysed to materials that are either normally in the diet or readily converted to such materials (Fassett, 1963a). Isobutyric acid occurs normally in the metabolism of valine, being converted to a propionyl group and entering into the glycogenic process (Fassett, 1963b). π-Octanol is largely oxidized in vivo; about 10% is excreted conjugated with glucuronic acid in rabbits. Isomeric octanols may be more highly conjugated; they may also be oxidized to the ketone or may be excreted unchanged (Williams, 1959).

Properties of OCTYL ISOBUTYRATE

Melting point: -56°C (estimate)
Boiling point: 245 °C(lit.)
Density  0.856 g/mL at 25 °C(lit.)
refractive index  n20/D 1.421(lit.)
FEMA  2808 | OCTYL ISOBUTYRATE
Flash point: 206 °F
color  A colourless liquid.
Odor at 100.00 %. oily green waxy soapy clean fruity creamy
JECFA Number 192
EPA Substance Registry System Propanoic acid, 2-methyl-, octyl ester (109-15-9)

Safety information for OCTYL ISOBUTYRATE

Computed Descriptors for OCTYL ISOBUTYRATE

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