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W353701

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
Council of Europe no.:
11914
UNSPSC Code:
12164502
PubChem Substance ID:
24901769
Flavis number:
7.122
EC Number:
203-620-1
NACRES:
NA.21
MDL number:
MFCD00008940
Beilstein/REAXYS Number:
1743163
Organoleptic:
banana; green; ethereal; fruity; pineapple
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens
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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

Disclaimer

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

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pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

hcodes

H226,H335

Hazard Classifications

Flam. Liq. 3 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

120.2 °F - closed cup

flash_point_c

49 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBQ8939
STBK2289
STBF3007V
STBB7561V
STBG1005V

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Nasir Mehmood et al.
Phytochemistry, 181, 112590-112590 (2020-11-25)
Modern strawberry production is often threatened by microbe pathogens. Anthracnose is among the most prominent fungal disease caused mainly by Colletotrichum gloeosporioides and leads to large-scale losses both in quality and yield. Little is known regarding the mechanisms underlying the
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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