W510106

Sigma-Aldrich

3-Pentanone

≥99%

Synonym(s):
Diethyl ketone
Linear Formula:
CH3CH2COCH2CH3
CAS Number:
Molecular Weight:
86.13
Beilstein/REAXYS Number:
635749
EC Number:
Council of Europe no.:
2350
MDL number:
PubChem Substance ID:
Flavis number:
7.084
NACRES:
NA.21

Quality Level

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.)

Documentation

see Safety & Documentation for available documents

Featured Industry

Flavors and Fragrances

Organoleptic

ethereal

food allergen

no known allergens

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.

Packaging

4, 8 kg in steel drum
1 kg in glass bottle

Other Notes

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Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard Statements

Supp Hazards

EUH066

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

UN1156 - class 3 - PG 2 - Diethyl ketone

WGK Germany

WGK 1

Flash Point(F)

44.6 °F - closed cup

Flash Point(C)

7 °C - closed cup

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...
Cristina Quintelas et al.
Journal of hazardous materials, 186(2-3), 1241-1248 (2010-12-24)
The ability of four different clays to adsorb diethylketone was investigated in batch experiments aiming to treat wastewater with low solvent concentrations. The adsorption performance in terms of uptake followed the sequence: vermiculite>sepiolite=kaolinite=bentonite, for all the adsorbent doses tested (from...

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