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W203203

Sigma-Aldrich

Allyl hexanoate

≥98%, FCC, FG

Synonym(s):

2-Propenyl hexanoate, Allyl caproate

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About This Item

Linear Formula:
CH3(CH2)4CO2CH2CH=CH2
CAS Number:
123-68-2
Molecular Weight:
156.22
FEMA Number:
2032
EC Number:
204-642-4
Council of Europe no.:
2181
MDL number:
MFCD00038339
UNSPSC Code:
12164502
PubChem Substance ID:
24900808
Flavis number:
9.244
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Halal
Kosher

agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117
FDA 21 CFR 172.515

assay

≥98%

refractive index

n20/D 1.424 (lit.)

bp

75-76 °C/15 mmHg (lit.)

density

0.887 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

fruity; ethereal; pineapple; sweet

SMILES string

CCCCCC(=O)OCC=C

InChI

1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3

InChI key

RCSBILYQLVXLJG-UHFFFAOYSA-N

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General description

Allyl hexanoate is a volatile flavoring compound with a pineapple flavor. It is naturally found in pineapple, baked potatoes and mushrooms. Allyl hexanoate is used as a flavoring agent in chewing gum, candies and baked goods.

pictograms

Skull and crossbonesEnvironment
GHS06,GHS09

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 2

Storage Class

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 2

flash_point_f

150.8 °F - closed cup

flash_point_c

66 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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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Burdock GA
Encyclopedia of Food and Color Additives, 1, 91-91 (1997)
Yannai S
Dictionary of Food Compounds with CD-ROM: Additives, Flavors, and Ingredients, 923-923 (2012)
Burdock GA
Encyclopedia of Food and Color Additives, 1, 91-91 (1997)
Fenaroli G
Fenaroli's Handbook of Flavor Ingredients, 18-18 (1971)
C Daniels et al.
Clinical neurophysiology : official journal of the International Federation of Clinical Neurophysiology, 112(8), 1523-1530 (2001-07-19)
The aim of the study was to determine how odor processing is altered in patients with unilateral supratentorial brain tumors. Olfactory event-related potentials (OERPs) were evaluated in 10 patients with unilateral brain tumors of the frontal or temporal lobe in
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