Isophorone, 97%, ACROS Organics™

Brand:  Acros Organics 122645000

Product Code. 10021210

Chemical Identifiers

• CAS: 78-59-1
• Molecular Weight (g/mol): 138.21
• InChI Key: HJOVHMDZYOCNQW-UHFFFAOYSA-N
• PubChem CID: 6544
• IUPAC Name: 3,5,5-trimethylcyclohex-2-en-1-one

• Molecular Formula: C₉H₁₄O
• MDL Number: MFCD00001584
• Synonym: isophorone, isoacetophorone, isoforone, isoforon, izoforon, isooctopherone, 3,5,5-trimethyl-2-cyclohexen-1-one, alpha-isophorone, 2-cyclohexen-1-one, 3,5,5-trimethyl, 1,1,3-trimethyl-3-cyclohexene-5-one
• ChEBI: CHEBI:34800
• SMILES: CC1=CC(=O)CC(C1)(C)C

Specifications

• Chemical Name or Material: Isophorone
• Flash Point: 84°C
• Packaging: Glass bottle
• Specific Gravity: 0.92
• Boiling Point: 213.0°C to 214.0°C
• Melting Point: -8.0°C
• Name Note: 98%
• Assay Percent Range: 96% min. (GC)
• MDL Number: MFCD00001584
• Merck Index: 15,5242
• Solubility Information: Solubility in water: 12g/L (20°C). Other solubilities: soluble in alcohol,ether,acetone
• SMILES: CC1=CC(=O)CC(C1)(C)C
• Molecular Weight (g/mol): 138.21
• ChEBI: CHEBI:34800
• Physical Form: Liquid

• Density: 0.9200g/mL
• Infrared Spectrum: Authentic
• Refractive Index: 1.4770 to 1.4790
• Viscosity: 2.6 mPa.s (20°C)
• Color: Colorless to Yellow
• Quantity: 500mL
• CAS: 78-59-1
• Molecular Formula: C₉H₁₄O
• Beilstein: 07,65
• Synonym: isophorone, isoacetophorone, isoforone, isoforon, izoforon, isooctopherone, 3,5,5-trimethyl-2-cyclohexen-1-one, alpha-isophorone, 2-cyclohexen-1-one, 3,5,5-trimethyl, 1,1,3-trimethyl-3-cyclohexene-5-one
• InChI Key: HJOVHMDZYOCNQW-UHFFFAOYSA-N
• IUPAC Name: 3,5,5-trimethylcyclohex-2-en-1-one
• PubChem CID: 6544
• Formula Weight: 138.21
• Percent Purity: 97%

Safety and Handling

Product Identifier

• Isophorone

Signal Word

• Warning

Hazard Category

• Acute toxicity Category 4
• Carcinogenicity Category 2
• Serious eye damage/eye irritation Category 2
• Specific target organ toxicity Category 3

Hazard Statement

• H319-Causes serious eye irritation.
• H351-Suspected of causing cancer.
• H335-May cause respiratory irritation.
• H312-Harmful in contact with skin.
• H302-Harmful if swallowed.

Precautionary Statement

• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• P302+P352-IF ON SKIN: Wash with plenty of water/.
• P304+P340-IF INHALED: Remove person to fresh air and keep comfortable for breathing.
• P305+P351+P338-IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
• P312-Call a POISON CENTER/doctor/if you feel unwell.