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Key Documents

W243728

Sigma-Aldrich

Ethyl heptanoate

greener alternative

natural, ≥98%, FG

Synonym(s):

Ethyl enanthate

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About This Item

Linear Formula:
CH3(CH2)5COOC2H5
CAS Number:
Molecular Weight:
158.24
FEMA Number:
2437
Beilstein:
1752311
EC Number:
Council of Europe no.:
365c
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.093
NACRES:
NA.21

grade

FG
Fragrance grade
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
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 1.412 (lit.)

bp

188-189 °C (lit.)

mp

−66 °C (lit.)

density

0.87 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

melon; fruity; pineapple; rum

SMILES string

CCCCCCC(=O)OCC

InChI

1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3

InChI key

TVQGDYNRXLTQAP-UHFFFAOYSA-N

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General description

Ethyl heptanoate is one of the key flavor volatiles identified in Luzhou-flavor raw spirits and gingko wine.
We are committed to bringing you greener alternative products, which adhere to one or more of The 12 Principles of Greener Chemistry. This product is Biobased and thus aligns with "Less Hazardous Chemical Syntheses" and "Use of Renewable Feedstocks".

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

165.2 °F - closed cup

Flash Point(C)

74 °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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Volatile compounds of raw spirits from different distilling stages of Luzhou-flavor spirit
Zheng, Jia, et al
Food Science and Technology Research, 20(2), 283-293 (2014)
J Enrique Cometto-Muñiz et al.
Experimental brain research, 158(2), 196-206 (2004-04-28)
A series of experiments probed into the degree of chemosensory detection additivity exhibited by mixtures of ethyl propanoate and heptanoate in terms of their trigeminal detectability via nasal pungency (i.e., irritation) and eye irritation. Nasal pungency was tested in subjects
Monographs on fragrance raw materials.
D L Opdyke
Food and cosmetics toxicology, 19(2), 237-254 (1981-04-01)
Mohammad Rafienia et al.
Current drug delivery, 6(2), 184-191 (2009-05-20)
In situ forming biodegradable polymeric systems were prepared from Poly (DL-lactide-co-glycolide), RG504H (50:50, lactide:glycolide), RG756 (75:25) and mixture of them. They were dissolved in N-methyl-2-pyrrolidone (33% w/w) and mixed with betamethasone acetate (BTMA, 5 and 10% w/w) and ethyl heptanoate
J Enrique Cometto-Muñiz et al.
Behavioural brain research, 156(1), 115-123 (2004-10-12)
The investigation explored the olfactory detectability of two chemically and structurally similar esters, ethyl propanoate and ethyl heptanoate, presented singly and in mixtures. Initially, we measured concentration-detection (i.e., psychometric) functions for the odor of ethyl propanoate and ethyl heptanoate presented

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