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W322120

Sigma-Aldrich

Phenethyl hexanoate

natural (US), ≥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
MDL number:
MFCD00027279
UNSPSC Code:
12164502
Flavis number:
09.261

biological source

botanical

Quality Level

400

grade

FG
Fragrance grade
Halal
Kosher
natural (US)

agency

follows IFRA guidelines

reg. compliance

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

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

fragrance allergen

no known allergens

organoleptic

honey; floral; woody; 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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Application

Phenethyl hexanoate is an ester found naturally in red wine, stinkhorn mushrooms, fermented leaves of Cassia obtusifolia, etc. It is used commercially as a flavor ingredient.

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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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Vapor pressures and vaporization enthalpies of a series of esters used in flavors by correlation gas chromatography.
Kozlovskiy, M, et al.
The Journal of Chemical Thermodynamics, 86(10), 65-74 (2015)
Aroma recovery in wine dealcoholization by SCC distillation.
Belisario-Sanchez YY, et al.
Food and Bioprocess Technology, 5(6), 2529-2539 (2012)
Constituents of Kawal, fermented Cassia obtusifolia leaves, a traditional food from Chad.
Mbaiguinam M, et al.
African Journal of Biotechnology, 4(10) (2005)
Volatile compounds in stinkhorn (Phallus impudicus L. ex Pers.) at different stages of growth.
Pudil F, et al.
European Scientific Journal, 10(9) (2014)

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