4-Hydroxy-4-methyl-2-pentanone, 99%, Thermo Scientific Chemicals

Product Code	Brand	Quantity	Packaging
10626892	Thermo Scientific Acros 121482500	250 mL	Glass bottle
10132490	Thermo Scientific Acros 121480010	1 L	Glass bottle
10225450	Thermo Scientific Acros 121480025	2.5 L	Glass bottle
11944861	Thermo Scientific Acros 121480100	10 L	Plastic 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: 123-42-2
• Molecular Weight (g/mol): 116.16
• InChI Key: SWXVUIWOUIDPGS-UHFFFAOYSA-N
• PubChem CID: 31256
• IUPAC Name: 4-hydroxy-4-methylpentan-2-one

• Molecular Formula: C6H12O2
• MDL Number: MFCD00004471
• Synonym: diacetone alcohol, 4-hydroxy-4-methyl-2-pentanone, diacetonalkohol, diketone alcohol, diacetonalcohol, tyranton, acetonyldimethylcarbinol, diacetone-alcool, pyranton a, 2-methyl-2-pentanol-4-one
• ChEBI: CHEBI:55381
• SMILES: CC(=O)CC(C)(C)O

Specifications

• CAS: 123-42-2
• Color: Colorless
• Boiling Point: 166.0°C
• Assay Percent Range: 98.5% min. (GC)
• Linear Formula: (CH₃)₂C(OH)CH₂COCH₃
• MDL Number: MFCD00004471
• Specific Gravity: 0.9385
• Solubility Information: Solubility in water: miscible. Other solubilities: miscible with alcohol,ether
• SMILES: CC(=O)CC(C)(C)O
• Molecular Weight (g/mol): 116.16
• ChEBI: CHEBI:55381
• Formula Weight: 116.16
• Physical Form: Liquid

• Melting Point: -42.8°C
• Density: 0.9385g/mL
• Flash Point: 58°C
• Molecular Formula: C6H12O2
• Refractive Index: 1.4223 to 1.4243
• Merck Index: 15,2967
• Synonym: diacetone alcohol, 4-hydroxy-4-methyl-2-pentanone, diacetonalkohol, diketone alcohol, diacetonalcohol, tyranton, acetonyldimethylcarbinol, diacetone-alcool, pyranton a, 2-methyl-2-pentanol-4-one
• InChI Key: SWXVUIWOUIDPGS-UHFFFAOYSA-N
• IUPAC Name: 4-hydroxy-4-methylpentan-2-one
• PubChem CID: 31256
• Viscosity: 3.22 mPa.s (20°C)
• Percent Purity: 99%
• Chemical Name or Material: 4-Hydroxy-4-methyl-2-pentanone

Safety and Handling

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

GHS P Statement
Keep away from heat/sparks/open flames/hot surfaces.
- No smoking.
IF ON SKIN (or hair): Take off immediately all contaminated clothing.
Rinse skin with water/shower.
Wear eye protection/face protection.
If eye

GHS Signal Word: Warning

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Product Identifier

• 4-Hydroxy-4-methyl-2-pentanone

Signal Word

• Warning

Hazard Category

• Serious eye damage/eye irritation Category 2
• Flammable liquid Category 3
• Specific target organ toxicity Category 3
• Reproductive toxicity Category 2

Hazard Statement

• H319-Causes serious eye irritation.
• H335-May cause respiratory irritation.
• H226-Flammable liquid and vapour.
• H361-Suspected of damaging fertility or the unborn child.

Precautionary Statement

• P210-Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• P303+P361+P353-IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/ shower.
• P304+P340-IF INHALED: Remove person to fresh air and keep comfortable for breathing.
• P312-Call a POISON CENTER/doctor/if you feel unwell.
• P337+P313-If eye irritation persists: Get medical advice/attention.

RUO – Research Use Only