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W353701 Sigma-Aldrich

2,6-Dimethyl-4-heptanone

≥99%

Synonym: Cognac heptanone, Diisobutyl ketone, Isovalerone

  • CAS Number 108-83-8

  • Linear Formula (CH3)2CHCH2COCH2CH(CH3)2

  • Molecular Weight 142.24

  •  FEMA Number 3537

  •  Beilstein/REAXYS Number 1743163

  •  EC Number 203-620-1

  •  Council of Europe no. 11914

  •  MDL number MFCD00008940

  •  PubChem Substance ID 24901769

  •  Flavis number 7.122

  •  NACRES NA.21

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Properties

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Quality Level   400
biological source   synthetic
Agency/Method   meets purity specifications of JECFA
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.)
Documentation   see Safety & Documentation for available documents
Organoleptic   green; ethereal; fruity
food allergen   no known allergens
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

Description

Packaging

1 kg in poly bottle

200 g in poly bottle

Other Notes

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Safety & Documentation

Safety Information

Symbol 
Signal word 
Warning
Hazard statements 
Precautionary statements 
Target organs 
Respiratory system
RIDADR 
UN1157 - class 3 - PG 3 - Diisobutyl ketone
WGK Germany 
WGK 1
RTECS 
MJ5775000
Flash Point(F) 
120.2 °F - closed cup
Flash Point(C) 
49 °C - closed cup
Protocols & Articles

Related Content

Flavors and Fragrances Quality and Regulatory

From a comprehensive vendor approval process, to the testing of raw material at receipt as well as when product is ready to be shipped; we prove our dedication to supply chain transparency, every day.
Keywords: Allergens, Food Safety, Solvents

Peer-Reviewed Papers
15

References

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