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Compound sheet

Aroma molecule

3-hexenoate

Smells ofapple, pine, fruity, floral, green

Found in 1 ingredient. We hold no measured concentration for it in any of them yet, so we cannot say where it is strong enough to smell.

Working on a formulation or a product line? This compound data is available by API for R&D teams.

Formula
—
Mass
113.13 g/mol
CAS
104-76-7
PubChem
—
FEMA
4112 · GRAS · verify
Threshold · water
270000 ppb
Class
—
Status
Aroma-active

01How little it takes

  • in water 270,000
  • in air 74.1

ppb, log scale · tick = median of published values, bar = full range

02Where it turns up

  • Fruit1

of the 1 ingredient that contain it, by food group

03What it travels with

Too few ingredients to say what it travels with.

What does 3-hexenoate smell like?

Sources describe it as apple, pine, fruity, floral, green, sweet, mushroom.

How this molecule is described

  • apple, pine, fruity, floral, green, sweet, mushroom shown above FlavorDB 2.0
  • apple, pine Flavordb Odor Column
  • fruity, floral, green, sweet, mushroom Flavordb Odor Column
  • fruity Flavordb Odor Column

Ordered by how many independent descriptor streams give each wording, then by how often it appears. The bar is replication (one source copied onto many ingredients scores high), not corroboration.

Which foods contain 3-hexenoate?

We list 1 ingredient that contain it, but presence is not the same as smell. What matters is how much is there compared with how little it takes to notice it. That ratio is the odour activity value (OAV): above 1, you can smell it.

Found in

Measured foods first, then real food profiles, then thin or composite records (marked). The figure beside each is how many compounds that ingredient has in total, not the amount of 3-hexenoate in it. ✓n = sources that recorded the link.

How strong is 3-hexenoate?

Orthonasal, in clean water: 270000 ppb, from 1 published value.

Published thresholds

2 measured values from the literature, grouped by what was measured: a threshold smelled in clean water, tasted, or measured in a real food are different quantities and are not pooled.

Orthonasal, in clean water · 270000 ppb ppbThe reference measurement — smelled in water. OAV is computed against this.
ThresholdMatrixSourcePaper
270000 ppb water_odor Leffingwell —
In air · 74.1 ppb ppbAirborne detection — not comparable to a water threshold.
ThresholdMatrixSourcePaper
74.1 ppb air (HS_hellman_small) Cometto-Muñiz (PMC) —

Only values we can attribute are listed. Where a compendium’s licence does not permit public attribution its figures are omitted, so every number here traces to a citable source.

Is 3-hexenoate safe to eat?

A substance matching this name is listed by FEMA as generally recognized as safe (GRAS) for use as a flavoring: FEMA number 4112, published in GRAS 22. Check current FDA and EFSA guidance for your market and use level.

FEMA number
4112 ? partial match
Publication
GRAS 22
FEMA name
Ethyl cis-3-hexenoate
Reported use levels (ppm by food category)
Food categoryTypicalMaximum
baked goods520
beverages (alcoholic)520
beverages (nonalcoholic)210
breakfast cereal210
chewing gum525
condiments/ relishes220
confectionery frostings525
frozen dairy520
fruit ices520
gelatins/ puddings520
hard candy1040
imitation dairy210
instant coffee/tea210
jams/jellies525
processed fruits110
seasonings/ flavors25100
soft candy1040
sweet sauces210

Typical vs maximum reported addition levels in finished food. A regulatory ceiling reference; verify against the current GRAS publication for your product category.

Source: FEMA GRAS publications 1–33. 4 related FEMA records for this name; verify the exact substance for regulatory use.

3-hexenoate questions

What does 3-hexenoate smell like?

Sources describe 3-hexenoate as apple, pine, fruity, floral and green.

Which foods contain 3-hexenoate?

We list 1 ingredient that contain 3-hexenoate.

How strong is 3-hexenoate?

The median of 1 published odour thresholds in water is 270000 ppb.

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Cite this analysis
Plain text
Compound Kitchen (2026). 3-hexenoate compound data sheet. https://compkitchen.com/compound/3-hexenoate. Accessed 2026-11-04.
BibTeX
@misc{compkitchen_compound_3_hexenoate_compound_data_sheet_2026,
  title  = {3-hexenoate compound data sheet},
  author = {{Compound Kitchen}},
  year   = {2026},
  url    = {https://compkitchen.com/compound/3-hexenoate},
  note   = {Accessed: 2026-11-04}
}

Methodology DOI: 10.5281/zenodo.19719459 · CC BY 4.0 · Citations are a request, not a requirement.