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W203111

Sigma-Aldrich

Allyl heptanoate

natural, 98%, FG

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Linear Formula:
CH3(CH2)5CO2CH2CH=CH2
CAS Number:
Molecular Weight:
170.25
FEMA Number:
2031
EC Number:
Council of Europe no.:
369
MDL number:
PubChem Substance ID:
Flavis number:
9.097
NACRES:
NA.21

grade

FG
Fragrance grade
Halal
Kosher
natural

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

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

Assay

98%

refractive index

n20/D 1.428 (lit.)

density

0.885 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

fruity; waxy; pineapple; sweet

SMILES string

CCCCCCC(=O)OCC=C

InChI

1S/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3

InChI key

SJWKGDGUQTWDRV-UHFFFAOYSA-N

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1 of 4

This Item
W203106W257206W207403
Allyl heptanoate natural, 98%, FG

Sigma-Aldrich

W203111

Allyl heptanoate

Allyl heptanoate ≥97%, FCC, FG

Sigma-Aldrich

W203106

Allyl heptanoate

Hexyl hexanoate ≥97%, FG

Sigma-Aldrich

W257206

Hexyl hexanoate

Amyl hexanoate ≥98%, FG

Sigma-Aldrich

W207403

Amyl hexanoate

agency

follows IFRA guidelines, meets purity specifications of JECFA

agency

meets purity specifications of JECFA

agency

follows IFRA guidelines, meets purity specifications of JECFA

agency

meets purity specifications of JECFA

assay

98%

assay

≥97%

assay

≥97%

assay

≥98%

refractive index

n20/D 1.428 (lit.)

refractive index

n20/D 1.428 (lit.)

refractive index

n20/D 1.424 (lit.)

refractive index

n20/D 1.42 (lit.)

density

0.885 g/mL at 25 °C (lit.)

density

0.885 g/mL at 25 °C (lit.)

density

0.863 g/mL at 25 °C (lit.)

density

0.858 g/mL at 25 °C (lit.)

documentation

see Safety & Documentation for available documents

documentation

see Safety & Documentation for available documents

documentation

see Safety & Documentation for available documents

documentation

see Safety & Documentation for available documents

General description

Allyl heptanoate is a flavor and fragrance ingredient that may be present in karanda fruit.

Application

This old-line chemical was one of the first to be Flavor and Extract Manufacturers Association-registered GRAS (generally recognized as safe). It can be used as part of ester complexes, primarily in fruit flavors like apple, pineapple, pear, plum, banana, fruit punch, and tropicals such as kiwi, papaya and mango. It can also play an important role in the fruity notes of aged cheeses, especially Parmesan, Asiago and grana padano.

Biochem/physiol Actions

Taste at 5-10ppm

Pictograms

Skull and crossbonesEnvironment

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

179.6 °F - closed cup

Flash Point(C)

82 °C - closed cup


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Organoleptic Characteristics of Flavor Materials
Michalski, J.
Perfumer & Flavorist, 38(10), 60-60 (2013)
Volatile flavor constituents of Karanda (Carissa carandas L.) fruit.
Pino JA, et al.
J. Essent. Oil Res., 16(5), 432-434 (2004)

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