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W280305

Sigma-Aldrich

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
Beilstein:
1700021
EC Number:
203-423-0
Council of Europe no.:
2042
MDL number:
MFCD00009515
UNSPSC Code:
12164502
PubChem Substance ID:
24901182
Flavis number:
7.062
NACRES:
NA.21

biological source

synthetic

Quality Level

400

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%

refractive index

n20/D 1.415 (lit.)

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

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

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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

Signal Word

Warning

Hazard Statements

H226,H315

Hazard Classifications

Flam. Liq. 3 - Skin Irrit. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

123.8 °F - closed cup

Flash Point(C)

51 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBR0600
SHBR0604
STBK2544
STBK0028
SHBL7755

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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
D Tuma et al.
International journal of food microbiology, 8(2), 103-119 (1989-05-01)
Western hard red spring wheat, stored at 20 and 25% moisture contents for 10 months during 1985-86, was monitored for biotic and abiotic variables in 10 unheated bins in Winnipeg, Manitoba. The major odor volatiles identified were 3-methyl-1-butanol, 3-octanone and
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