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W285714

Sigma-Aldrich

Phenethyl acetate

greener alternative

natural, ≥98%, FCC, FG

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Synonym(s):
2-Phenethyl acetate, 2-Phenylethyl acetate
Linear Formula:
CH3COOCH2CH2C6H5
CAS Number:
103-45-7
Molecular Weight:
164.20
FEMA Number:
2857
Beilstein:
638179
EC Number:
203-113-5
Council of Europe no.:
221
MDL number:
MFCD00008720
UNSPSC Code:
12164502
PubChem Substance ID:
24901347
Flavis number:
9.031
NACRES:
NA.01

grade

FG
Fragrance grade
Halal
Kosher
natural

Quality Level

400

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 872/2012
FCC
FDA 21 CFR 172.515

vapor density

5.67 (vs air)

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 1.498 (lit.)

bp

238-239 °C (lit.)

density

1.032 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; floral; rose; sweet

SMILES string

CC(=O)OCCc1ccccc1

InChI

1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

InChI key

MDHYEMXUFSJLGV-UHFFFAOYSA-N

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General description

Natural occurrence: Melon, pineapple, grape, brandy, Arctic bramble, olives and lettuce.
Phenethyl acetate is a volatile flavor compound reported to be found in Malaysian cocoa beans, cheddar cheese, wine, brandy, and other grape-derived alcoholic beverages.
We are committed to bringing you Greener Alternative Products, which adhere to one of the four categories of Greener Alternatives . This product is a Biobased products, showing key improvements in Green Chemistry Principles “Less Hazardous Chemical Syntheses” and “Use of Renewable Feedstock”.

Biochem/physiol Actions

Taste at 50 ppm

WGK

WGK 1

Flash Point(F)

221.0 °F

Flash Point(C)

105 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Characterization of aroma compounds responsible for the rosy/floral flavor in Cheddar cheese.
Carunchia Whetstine ME, et al.
Journal of Agricultural and Food Chemistry, 53(8), 3126-3132 (2005)
Effect of increased yeast alcohol acetyltransferase activity on flavor profiles of wine and distillates.
Lilly M, et al.
Applied and Environmental Microbiology, 66(2), 744-753 (2000)
Philipp Adler et al.
Enzyme and microbial technology, 48(3), 285-292 (2011-11-25)
An unstructured model for an integrated fermentation/membrane extraction process for the production of the aroma compounds 2-phenylethanol and 2-phenylethylacetate by Kluyveromyces marxianus CBS 600 was developed. The extent to which this model, based only on data from the conventional fermentation
Patrick C Aculey et al.
Journal of food science, 75(6), S300-S307 (2010-08-21)
Export of cocoa beans is of great economic importance in Ghana and several other tropical countries. Raw cocoa has an astringent, unpleasant taste, and flavor, and has to be fermented, dried, and roasted to obtain the characteristic cocoa flavor and
M M W Etschmann et al.
Applied microbiology and biotechnology, 71(4), 440-443 (2006-01-07)
The natural aroma chemicals 2-phenylethanol (2-PE) and 2-phenylethylacetate (2-PEAc) are of high industrial relevance and can be produced from L-phenylalanine in a yeast-based process with growth-associated product formation. Due to product inhibition, in situ product removal is mandatory to obtain
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