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
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 | n |
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) |
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
Abamectin manufacturer
Flowersynth
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