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W322120

Sigma-Aldrich

Phenethyl hexanoate

natural (US), ≥97%, FG

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Synonym(s):
Phenethyl caproate
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
NACRES:
NA.21

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.

WGK

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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Constituents of Kawal, fermented Cassia obtusifolia leaves, a traditional food from Chad.
Mbaiguinam M, et al.
African Journal of Biotechnology, 4(10) (2005)
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)

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