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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

Quality Segment

300, 400

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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