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W208100

Sigma-Aldrich

Isoamyl phenylacetate

natural, ≥98%, FG

Synonym(s):
3-methylbutyl 2-phenylacetate, Iso amyl alpha-toluate, Phenyl acetic acid isopentyl ester
Empirical Formula (Hill Notation):
C13H18O2
CAS Number:
Molecular Weight:
206.28
FEMA Number:
2081
EC Number:
Council of Europe no.:
2161
MDL number:
Flavis number:
9.789
NACRES:
NA.21

grade

FG
Fragrance grade
Halal
Kosher
natural

Quality Level

Agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117

Assay

≥98%

refractive index

n20/D 1.485 (lit.)

bp

268 °C (lit.)

density

0.975 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

Organoleptic

honey; rose; sweet

SMILES string

CC(C)CCOC(=O)Cc1ccccc1

InChI

1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3

InChI key

QWBQBUWZZBUFHN-UHFFFAOYSA-N

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W205532W205508W205710
Isoamyl acetate natural, ≥97%, FCC, FG

Sigma-Aldrich

W205532

Isoamyl acetate

Isoamyl acetate ≥95%, FCC, FG

Sigma-Aldrich

W205508

Isoamyl acetate

Isoamyl alcohol natural, ≥98%, FG

Sigma-Aldrich

W205710

Isoamyl alcohol

agency

follows IFRA guidelines

agency

follows IFRA guidelines, meets purity specifications of JECFA

agency

follows IFRA guidelines, meets purity specifications of JECFA

agency

follows IFRA guidelines, meets purity specifications of JECFA

assay

≥98%

assay

≥97%

assay

≥95%

assay

≥98%

refractive index

n20/D 1.485 (lit.)

refractive index

n20/D 1.4 (lit.)

refractive index

n20/D 1.4 (lit.)

refractive index

n20/D 1.406 (lit.)

bp

268 °C (lit.)

bp

142 °C/756 mmHg (lit.)

bp

142 °C/756 mmHg (lit.)

bp

130 °C (lit.)

density

0.975 g/mL at 25 °C (lit.)

density

0.876 g/mL at 25 °C (lit.)

density

0.876 g/mL at 25 °C (lit.)

density

0.809 g/mL at 25 °C (lit.)

General description

Isoamyl phenylacetate, a phenethyl alcohol derivative, is commonly used as a flavor additive in tobacco. It is one of the volatile compounds found in apple pomace.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Skin Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

217.9 °F

Flash Point(C)

103.3 °C


Certificates of Analysis (COA)

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-
25G
Pack Size/Quantity

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705578-5MG-PW

PL860-CGA/SHF-1EA

MMYOMAG-74K-13

1000309185

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Determination of Volatile Compounds in Apple Pomace by Stir Bar Sorptive Extraction and Gas Chromatography-Mass Spectrometry (SBSE-GC-MS).
Madrera RR and Valles BS
Journal of Food Science, 76(9) (2011)
Qualitative and Quantitative Analysis of Flavor Additives on Tobacco Products Using SPME- GC- Mass Spectroscopy
Clark TJ and Bunch JE
Journal of Agricultural and Food Chemistry, 45(3), 844-849 (1997)
T B Adams et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 43(8), 1179-1206 (2005-06-14)
This publication is the ninth in a series of safety evaluations performed by the Expert Panel of the Flavor and Extract Manufacturers Association (FEMA). In 1993, the Panel initiated a comprehensive program to re-evaluate the safety of more than 1700

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