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W353701

Sigma-Aldrich

2,6-Dimethyl-4-heptanone

≥99%

Synonym(s):

Cognac heptanone, Diisobutyl ketone, Isovalerone

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About This Item

Linear Formula:
(CH3)2CHCH2COCH2CH(CH3)2
CAS Number:
108-83-8
Molecular Weight:
142.24
FEMA Number:
3537
Beilstein:
1743163
EC Number:
203-620-1
Council of Europe no.:
11914
MDL number:
MFCD00008940
UNSPSC Code:
12164502
PubChem Substance ID:
24901769
Flavis number:
7.122
NACRES:
NA.21

biological source

synthetic

Agency

meets purity specifications of JECFA

reg. compliance

FDA 21 CFR 117

vapor density

4.9 (vs air)

vapor pressure

1.7 mmHg ( 20 °C)

Assay

≥99%

autoignition temp.

745 °F

expl. lim.

0.8-6.2 %, 100 °F

refractive index

n20/D 1.412 (lit.)

bp

165-170 °C (lit.)

density

0.808 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

banana; green; ethereal; fruity; pineapple

SMILES string

CC(C)CC(=O)CC(C)C

InChI

1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3

InChI key

PTTPXKJBFFKCEK-UHFFFAOYSA-N

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Disclaimer

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

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H335

Hazard Classifications

Flam. Liq. 3 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

120.2 °F - closed cup

Flash Point(C)

49 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBK2289
STBF3007V
STBB7561V
STBG1005V
STBF5927V

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Marte Balchen et al.
Analytica chimica acta, 716, 16-23 (2012-01-31)
A totally new concept based on electrokinetic migration was evaluated for the extraction of three biologically active peptides from human plasma. Angiotensin 2, leu-enkephalin, and endomorphin 1 migrated from a diluted human plasma sample (2 mL, positive electrode), through a
[Thermal desorption gas chromatography for determination of diisobutyl ketone in air of working places].
Wei Chen et al.
Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi = Chinese journal of industrial hygiene and occupational diseases, 26(2), 110-112 (2008-05-01)
G Milani et al.
Journal of computational chemistry, 28(13), 2203-2215 (2007-04-24)
A simple genetic algorithm for the numerical evaluation of binodal curves in ternary systems polymer-liquid (1)-liquid (2) and polymer (1)-polymer (2)-solvent is presented. The technique exploits a specifically developed restarting technique based on a combined elitist and zooming strategy on
R F White et al.
Environmental research, 61(1), 117-123 (1993-04-01)
The objective of this investigation was to examine cerebral magnetic resonance imaging (MRI) pathology and functional deficits demonstrated by neuropsychological testing in cases of toxic encephalopathy. Two subjects, occupationally exposed to toxic chemicals, were studied. As part of their neurological
D E Dodd et al.
Toxicology and industrial health, 3(4), 443-457 (1987-12-01)
Four groups, each consisting of 10 male and 10 female Fischer-344 rats, were exposed 6 h/day, 5 days/week, for 9 days to diisobutyl ketone (DIBK) vapor at concentrations of 905, 300, 98, or 0 (control) ppm. An additional 10 rats/sex
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