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103004

Sigma-Aldrich

2-Hexanone

reagent grade, 98%

Synonym(s):

Butyl methyl ketone

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About This Item

Linear Formula:
CH3(CH2)3COCH3
CAS Number:
591-78-6
Molecular Weight:
100.16
Beilstein:
1737676
EC Number:
209-731-1
MDL number:
MFCD00009482
UNSPSC Code:
12352115
PubChem Substance ID:
329749014
NACRES:
NA.21

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.

Application

Inhalation is suspected of causing peripheral neuropathy.

Signal Word

Danger

Hazard Statements

H226,H336,H361f,H372

Hazard Classifications

Flam. Liq. 3 - Repr. 2 - STOT RE 1 - STOT SE 3

Target Organs

Central nervous system

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

73.4 °F - closed cup

Flash Point(C)

23 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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"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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