2,6-Dimethyl-4-heptanone, technical, remainder mainly 4,6-dimethyl-2-heptanone, Thermo Scientific Chemicals

Product Code	Brand	Quantity	Packaging
10645582	Thermo Scientific Acros 149440010	1 L	Glass Bottle
10081610	Thermo Scientific Acros 149440025	2.5 L	Glass Bottle
10736361	Thermo Scientific Acros 149440200	20 L	Metal drum

Description

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Chemical Identifiers

• CAS: 108-83-8, 19549-80-5
• Molecular Weight (g/mol): 142.24
• InChI Key: PTTPXKJBFFKCEK-UHFFFAOYSA-N
• PubChem CID: 7958
• SMILES: CC(C)CC(=O)CC(C)C

• Molecular Formula: C₉H₁₈O
• MDL Number: MFCD00008940
• Synonym: 2,6-dimethyl-4-heptanone, diisobutyl ketone, isovalerone, isobutyl ketone, valerone, diisobutylketone, diisobutilchetone, s-diisopropylacetone, di-isobutylcetone, dibk
• IUPAC Name: 2,6-dimethylheptan-4-one

Specifications

• CAS: 108-83-8, 19549-80-5
• CAS Max %: 100.0
• Color: Colorless to Yellow
• Boiling Point: 169°C
• Infrared Spectrum: Authentic
• Molecular Formula: C₉H₁₈O
• Refractive Index: 1.4120 to 1.415
• Beilstein: 01, 710
• Synonym: 2,6-dimethyl-4-heptanone, diisobutyl ketone, isovalerone, isobutyl ketone, valerone, diisobutylketone, diisobutilchetone, s-diisopropylacetone, di-isobutylcetone, dibk
• InChI Key: PTTPXKJBFFKCEK-UHFFFAOYSA-N
• IUPAC Name: 2,6-dimethylheptan-4-one
• PubChem CID: 7958
• Formula Weight: 142.24
• Grade: Technical
• Chemical Name or Material: 2, 6-Dimethyl-4-heptanone, tech., 80%

• CAS Min %: 75.0
• Melting Point: -46°C
• Density: 0.8090g/mL
• Flash Point: 49°C
• Assay Percent Range: 80%
• Linear Formula: (CH₃)₂CHCH₂COCH₂CH(CH₃)₂
• MDL Number: MFCD00008940
• Specific Gravity: 0.809
• Solubility Information: Solubility in water: slightly soluble (0.05g/100 mL). Other solubilities: miscible with most organic solvents
• SMILES: CC(C)CC(=O)CC(C)C
• Molecular Weight (g/mol): 142.24
• Viscosity: 1.05 mPa.s (20°C)
• Percent Purity: ≥75% (typically) exact percentage on the certificate of analysis, 96% min. (main compound plus isomer)
• Physical Form: Liquid

Safety and Handling

GHS H Statement
May cause respiratory irritation.
Flammable liquid and vapor.

GHS P Statement
IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Avoid breathing dust/fume/gas/mist/vapors/spray.
Keep away from heat/sparks/open flames/hot surfaces.
- No smoking.

GHS Signal Word: Warning

missing translation for 'einecsNumber' : 203-620-1

missing translation for 'rtecsNumber' : MJ5775000

missing translation for 'tsca' : TSCA

Product Identifier

• 2,6-Dimethyl-4-heptanone, remainder mainly 4,6-dimethyl-2-heptanone

Signal Word

• Danger

Hazard Category

• Flammable liquid Category 3
• Specific target organ toxicity Category 3

Hazard Statement

• H335-May cause respiratory irritation.
• H226-Flammable liquid and vapour.

Precautionary Statement

• P210-Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
• P261-Avoid breathing dust/fume/gas/mist/vapours/spray.
• P304+P340-IF INHALED: Remove person to fresh air and keep comfortable for breathing.

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RUO – Research Use Only