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W322105

Sigma-Aldrich

Phenethyl hexanoate

≥97%, FG

Synonym(s):

Phenethyl caproate

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About This Item

Linear Formula:
CH3(CH2)4CO2CH2CH2C6H5
CAS Number:
6290-37-5
Molecular Weight:
220.31
FEMA Number:
3221
EC Number:
228-538-3
Council of Europe no.:
10882
MDL number:
MFCD00027279
UNSPSC Code:
12164502
PubChem Substance ID:
24901562
Flavis number:
9.261
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Halal
Kosher

reg. compliance

EU Regulation 1334/2008 & 178/2002

Assay

≥97%

refractive index

n20/D 1.486 (lit.)

density

0.971 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

honey; floral; waxy; sweet

SMILES string

CCCCCC(=O)OCCc1ccccc1

InChI

1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3

InChI key

BUYNWUMUDHPPDS-UHFFFAOYSA-N

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General description

Phenethyl hexanoate is a volatile aroma constituent of alcoholic beverages such as wine, beer and grape brandy.

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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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Analysis of minor volatile constituents of wine.
Hardy PJ & Ramshaw EH.
Journal of the Science of Food and Agriculture, 21(1), 39-41 (1970)
Gas chromatographic-mass spectrometric investigation of hop aroma constituents in beer.
Tressl R, et al.
Journal of Agricultural and Food Chemistry, 26(6), 1422-1426 (1978)
Composition of neutral volatile constituents in grape brandies.
Schreier P, et al.
Journal of Agricultural and Food Chemistry, 27(2), 365-372 (1979)
Sha Sha et al.
Journal of agricultural and food chemistry, 65(1), 123-131 (2016-12-19)
The aroma profile of Chinese roasted sesame-like flavor type liquor was investigated by means of headspace solid phase microextraction-aroma extract dilution analysis (HS-SPME-AEDA). Sixty-three odor-active regions were detected by HS-SPME-AEDA with flavor dilution (FD) factors >5, and 58 of these

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