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W510106

Sigma-Aldrich

3-Pentanone

≥99%

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Synonym(s):
Diethyl ketone
Linear Formula:
CH3CH2COCH2CH3
CAS Number:
96-22-0
Molecular Weight:
86.13
Beilstein:
635749
EC Number:
202-490-3
Council of Europe no.:
2350
MDL number:
MFCD00009320
PubChem Substance ID:
24902048
Flavis number:
7.084
NACRES:
NA.21

biological source

synthetic

vapor density

3 (vs air)

vapor pressure

20 mmHg ( 28 °C)
28.1 mmHg ( 20 °C)

Assay

≥99%

form

liquid

autoignition temp.

845 °F

refractive index

n20/D 1.392 (lit.)

pH

6.2 (20 °C, 50 g/L)

bp

101.5 °C (lit.)

mp

−42 °C (lit.)

density

0.813 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

ethereal

SMILES string

CCC(=O)CC

InChI

1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3

InChI key

FDPIMTJIUBPUKL-UHFFFAOYSA-N

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General description

3-Pentanone is a volatile alcohol that is reported to occur in amaranthus, guava, and roasted coffee.

Disclaimer

For R&D or non-EU Food use. Not for retail sale.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225 - H319 - H335 - H336

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2

Supplementary Hazards

EUH066

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

44.6 °F

Flash Point(C)

7 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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The volatile constituents of roasted coffee.
Johnston WR & Frey CN
Journal of the American Chemical Society, 60(7), 1624-1627 (1938)
Volatile constituents of guava fruits (Psidium guajava L.) and canned puree.
Nishimura O, et al.
Journal of Agricultural and Food Chemistry, 37(1), 139-142 (1989)
Identification of volatile allelochemicals fromAmaranthus palmeri S. Wats.
Connick WJ, et al.
Journal of Chemical Ecology, 13(3), 463-472 (1987)
Filomena Costa et al.
Biodegradation, 23(1), 81-92 (2011-06-18)
The performance of an Arthrobacter viscosus culture to remove diethylketone from aqueous solutions was evaluated. The effect of initial concentration of diethylketone on the growth of the bacteria was evaluated for the range of concentration between 0 and 4.8 g/l, aiming
Osamu Inoue et al.
British journal of pharmacology, 158(3), 872-878 (2009-08-22)
A ketogenic diet has been used successfully to treat patients with intractable epilepsy, although the mechanism is unknown. Acetone has been shown to have an anticonvulsive effect in various animal models. The main purpose of this study was to determine
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