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Key Documents

W203211

Sigma-Aldrich

Allyl hexanoate

greener alternative

natural, ≥98%, FCC, FG

Synonym(s):

Allyl caproate

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About This Item

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

grade

FG
Fragrance grade
Halal
Kosher
natural

Quality Level

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

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

Assay

≥98%

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

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

fragrance allergen

no known allergens

greener alternative category

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 baked potatoes and mushrooms. Allyl hexanoate is used as a flavoring agent in chewing gum, candies and baked goods.
We are committed to bringing you Greener Alternative Products, which adhere to one of the four categories of Greener Alternatives . This product is a Biobased products, showing key improvements in Green Chemistry Principles “Less Hazardous Chemical Syntheses” and “Use of Renewable Feedstock”.

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

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Certificates of Analysis (COA)

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Burdock GA
Encyclopedia of Food and Color Additives, 1, 91-91 (1997)
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)
Robust dismissal of a claim on chemical sensitisation.
D Brahams
Lancet (London, England), 339(8788), 297-297 (1992-02-01)
Fenaroli G
Fenaroli's Handbook of Flavor Ingredients, 18-18 (1971)

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