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Merck
CN

W208100

Isoamyl phenylacetate

greener alternative

natural, ≥98%, FG

Synonym(s):

3-methylbutyl 2-phenylacetate, Iso amyl alpha-toluate, Phenyl acetic acid isopentyl ester

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About This Item

Empirical Formula (Hill Notation):
C13H18O2
CAS Number:
102-19-2
Molecular Weight:
206.28
FEMA Number:
2081
Council of Europe no.:
2161
UNSPSC Code:
12164502
Flavis number:
9.789
EC Number:
203-012-6
NACRES:
NA.21
MDL number:
MFCD00026517
Organoleptic:
honey; rose; sweet
Grade:
FG, Fragrance grade, Halal, Kosher, natural
Agency:
follows IFRA guidelines
Food allergen:
no known allergens

Key Documents

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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

grade

FG, Fragrance grade, Halal, Kosher, natural

agency

follows IFRA guidelines

reg. compliance

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

assay

≥98%

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

refractive index

n20/D 1.485 (lit.)

Quality Level

300

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

greener alternative category

Aligned

organoleptic

honey; rose; sweet

Related Categories

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.
We are committed to bringing you greener alternative products, which adhere to one or more of The 12 Principles of Greener Chemistry. This product is Biobased and thus aligns with "Less Hazardous Chemical Syntheses" and "Use of Renewable Feedstocks".

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H315

Hazard Classifications

Skin Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

217.9 °F

flash_point_c

103.3 °C

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT5139
SHBT2013
SHBT1273
SHBS8898
SHBP5202

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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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