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Merck

W280305

3-Octanone

≥98%, FG

Synonym(s):

Ethyl amyl ketone, Ethyl pentyl ketone

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About This Item

Linear Formula:
CH3(CH2)4COC2H5
CAS Number:
106-68-3
Molecular Weight:
128.21
FEMA Number:
2803
Council of Europe no.:
2042
UNSPSC Code:
12164502
PubChem Substance ID:
24901182
Flavis number:
7.062
EC Number:
203-423-0
NACRES:
NA.21
MDL number:
MFCD00009515
Beilstein/REAXYS Number:
1700021
Organoleptic:
cheese; green; mushroom; musty; vegetable; earthy
Grade:
FG, Halal, Kosher
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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SMILES string

CCCCCC(=O)CC

InChI

1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3

InChI key

RHLVCLIPMVJYKS-UHFFFAOYSA-N

biological source

synthetic

grade

FG, Halal, Kosher

agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 172.515

assay

≥98%

Quality Level

300, 400

bp

167-168 °C (lit.)

density

0.822 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

cheese; green; mushroom; musty; vegetable; earthy

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General description

3-Octanone occurs naturally in mushrooms. It is also is one of the key volatiles produced by fungi such as Aspergillus, Fusarium and Penicillium.

Biochem/physiol Actions

Taste at 10 ppm

Other Notes

Natural occurrence: Banana, blueberry, thyme, mushroom, rosemary and hyssop.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

hcodes

H226,H315

Hazard Classifications

Flam. Liq. 3 - Skin Irrit. 2

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

123.8 °F - closed cup

flash_point_c

51 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBS9719
SHBR0600
SHBR0604
STBK2544
STBK0028

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Fungal volatiles as indicators of food and feeds spoilage.
Schnurer J, et al.
Fungal genetics and biology : FG & B, 27(2-3), 209-217 (1999)
Volatile flavour components of some edible mushrooms (Basidiomycetes).
Venkateshwarlu G, et al.
Flavour and Fragrance Journal, 14(3), 191-194 (1999)
Mushroom flavor.
Maga JA.
Journal of Agricultural and Food Chemistry, 29(1), 1-4 (1981)
Marek Nemcovic et al.
FEMS microbiology letters, 284(2), 231-236 (2008-05-31)
Light and starvation are two principal environmental stimuli inducing conidiation in the soil micromycete Trichoderma spp. We observed that volatiles produced by conidiating colonies of Trichoderma spp. elicited conidiation in colonies that had not been induced previously by exposure to
Martin J Schnermann et al.
Proceedings of the National Academy of Sciences of the United States of America, 107(14), 6158-6163 (2010-03-25)
Golgi-modifying properties of the spongian diterpene macfarlandin E (MacE) and a synthetic analog, t-Bu-MacE, containing its 2,7-dioxabicyclo[3.2.1]octan-3-one moiety are reported. Natural product screening efforts identified MacE as inducing a novel morphological change in Golgi structure defined by ribbon fragmentation with
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