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HomeProduct name listIsopentyl phenylacetate

Isopentyl phenylacetate

  • CAS NO.:102-19-2
  • Empirical Formula: C13H18O2
  • Molecular Weight: 206.28
  • MDL number: MFCD00026517
  • EINECS: 203-012-6
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-07-23 11:40:06
Isopentyl phenylacetate Structural

What is Isopentyl phenylacetate?

Description

Isoamyl phenylacetate has a sweet, pleasant odor reminiscent of cocoa with a slight birch-tar undertone. May be prepared by esterification of phenylacetic acid with isoamyl alcohol in the presence of concentrated sulfuric acid; by heating benzyl nitrile and isoamyl alcohol in the presence of excess concentrated H2S04.

Chemical properties

Isoamyl phenylacetate has a sweet, pleasant odor reminiscent of cocoa with a slight birch-tar undertone.
Insoluble in water, soluble in alcohol and oils.

Occurrence

Reported found in peppermint oil.

The Uses of Isopentyl phenylacetate

Used in Carnation and other perfume compositions for its sweetness, fruity, almost rosy notes, delicate floralness and good performance in talcum and other functional products. Finds extensive use in flavor compositions for imitation Butter, Chocolate, Cocoa, Honey, Licorice, Peach, etc. With traces of Castoreum, il introduces interesting effects in Cocoa, and Anethole gives naturalness to Licorice flavoring. Due to its high boiling point, it performs excellently in baked goods.

Preparation

By esterification of phenylacetic acid with isoamyl alcohol in the presence of concentrated sulfuric acid; by heating benzyl nitrile and isoamyl alcohol in the presence of excess concentrated H2SO4

Definition

ChEBI: 3-Methylbutyl phenylacetate is a member of benzenes.

Aroma threshold values

Aroma characteristics at 1%: sweet, honey, chocolate with a rosy floral nuance.

Taste threshold values

Taste characteristics at 5 to 10 ppm: warm rosy honey with phenyl chocolate nuances and dried fruit notes.

Flammability and Explosibility

Not classified

Properties of Isopentyl phenylacetate

Boiling point: 268 °C(lit.)
Density  0.98
vapor pressure  0.907Pa at 25℃
FEMA  2081 | ISOAMYL PHENYLACETATE
refractive index  n20/D 1.485(lit.)
Flash point: >230 °F
form  clear liquid
color  Colorless to Almost colorless
Odor at 10.00 % in dipropylene glycol. sweet honey cocoa balsam chocolate castoreum animal
Water Solubility  63.049mg/L at 25℃
JECFA Number 1014
CAS DataBase Reference 102-19-2(CAS DataBase Reference)
NIST Chemistry Reference Acetic acid, phenyl-, isopentyl ester(102-19-2)
EPA Substance Registry System Benzeneacetic acid, 3-methylbutyl ester (102-19-2)

Safety information for Isopentyl phenylacetate

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.

Computed Descriptors for Isopentyl phenylacetate

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