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W203203

Sigma-Aldrich

Allyl hexanoate

≥98%, FCC, FG

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Synonym(s):
2-Propenyl hexanoate, Allyl caproate
Linear Formula:
CH3(CH2)4CO2CH2CH=CH2
CAS Number:
Molecular Weight:
156.22
FEMA Number:
2032
EC Number:
Council of Europe no.:
2181
MDL number:
PubChem Substance ID:
Flavis number:
9.244
NACRES:
NA.21

biological source

synthetic

Quality Level

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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This Item
W203211W207403W202606
Allyl hexanoate ≥98%, FCC, FG

Sigma-Aldrich

W203203

Allyl hexanoate

Allyl hexanoate natural, ≥98%, FCC, FG

Sigma-Aldrich

W203211

Allyl hexanoate

Amyl hexanoate ≥98%, FG

Sigma-Aldrich

W207403

Amyl hexanoate

grade

FG, Halal, Kosher

grade

FG, Fragrance grade, Halal, Kosher, natural

grade

FG, Halal

grade

FG, Halal, Kosher

agency

meets purity specifications of JECFA

agency

follows IFRA guidelines, meets purity specifications of JECFA

agency

meets purity specifications of JECFA

agency

meets purity specifications of JECFA

assay

≥98%

assay

≥98%

assay

≥98%

assay

≥98%

refractive index

n20/D 1.424 (lit.)

refractive index

n20/D 1.424 (lit.)

refractive index

n20/D 1.42 (lit.)

refractive index

n20/D 1.46 (lit.)

bp

75-76 °C/15 mmHg (lit.)

bp

75-76 °C/15 mmHg (lit.)

bp

226 °C (lit.)

bp

91 °C/1 mmHg (lit.)

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

Signal Word

Danger

Hazard Statements

Hazard Classifications

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

Storage Class Code

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

WGK

WGK 2

Flash Point(F)

150.8 °F - closed cup

Flash Point(C)

66 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Fenaroli G
Fenaroli's Handbook of Flavor Ingredients, 18-18 (1971)
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)
Robust dismissal of a claim on chemical sensitisation.
D Brahams
Lancet (London, England), 339(8788), 297-297 (1992-02-01)

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