103004

Sigma-Aldrich

2-Hexanone

reagent grade, 98%

Synonym(s):
Butyl methyl ketone
Linear Formula:
CH3(CH2)3COCH3
CAS Number:
Molecular Weight:
100.16
Beilstein/REAXYS Number:
1737676
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

Quality Level

grade

reagent grade

vapor pressure

10 mmHg ( 39 °C)

assay

98%

form

liquid

refractive index

n20/D 1.401 (lit.)

bp

127 °C (lit.)

mp

−57 °C (lit.)

density

0.812 g/mL at 25 °C (lit.)

SMILES string

CCCCC(C)=O

InChI

1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3

InChI key

QQZOPKMRPOGIEB-UHFFFAOYSA-N

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General description

2-Hexanone can also be synthesized via Wacker oxidation of 1-hexene. It can be used as a solvent in paints, oils and waxes.

Packaging

10, 50, 250 g in glass bottle

Application

Inhalation is suspected of causing peripheral neuropathy.

Signal Word

Danger

Target Organs

Central nervous system

RIDADR

UN1224 - class 3 - PG 3 - Ketones, liquid, n.o.s., HI: all

WGK Germany

WGK 1

Flash Point(F)

73.4 °F - closed cup

Flash Point(C)

23 °C - closed cup

"Wacker oxidation of 1-hexene in 1-n-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]), supercritical (SC) CO2, and SC CO2/[bmim][PF6] mixed solvent"
Hou Z, et al.
New. J. Chem., 26(09), 1246-1248 (2002)
Dikshith.S.S.T
Handbook of Chemicals and Safety (2016)
Peripheral neuropathy associated with inhalation of methyl-n-butyl ketone.
S Duckett et al.
Experientia, 30(11), 1283-1284 (1974-11-15)
J W Griffin
Neurobehavioral toxicology and teratology, 3(4), 437-444 (1981-01-01)
The neurotoxicity of hexacarbon solvents has become apparent only recently, but an extensive literature has already developed as a result of the clinical and epidemiological implications of the human disease, and the advantages of small animal models of hexacarbon neurotoxicity...
Y Lolin
Human toxicology, 8(4), 293-300 (1989-07-01)
1. The main neurological disorders associated with chronic VSA are peripheral neuropathy, cerebellar disease, chronic encephalopathy and dementia. Apart from peripheral neuropathy, the clinical features are non-specific, evidence for solvent-related toxicity is in most cases circumstantial and there is no...

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