4,4-Dimethyl-2-cyclohexen-1-one, 97%, Thermo Scientific Chemicals

Product Code	Brand	Quantity	Packaging
10471501	Thermo Scientific Acros 319540050	5 g	Glass bottle
10697294	Thermo Scientific Acros 319540250	25 g	Glass bottle

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: 1073-13-8
• Molecular Weight (g/mol): 124.18
• InChI Key: HAUNPYVLVAIUOO-UHFFFAOYSA-N
• PubChem CID: 136839
• SMILES: CC1(C)CCC(=O)C=C1

• Molecular Formula: C8H12O
• MDL Number: MFCD00009695
• Synonym: 4,4-dimethyl-2-cyclohexen-1-one, 4,4-dimethylcyclohex-2-enone, 2-cyclohexen-1-one, 4,4-dimethyl, 4,4-dimethyl-2-cyclohexenone, 4,4-dimethylcyclohexenone, 4,4-dimethyl-2-cyclohexene-1-one, 4,4-dimethyl-cyclohex-2-en-1-one, pubchem17152, acmc-1bxzo, 3,3-dimethylcyclohexene-6-one
• IUPAC Name: 4,4-dimethylcyclohex-2-en-1-one

Specifications

• CAS: 1073-13-8
• CAS Max %: 100.0
• Density: 0.9400g/mL
• Flash Point: 64°C
• Assay Percent Range: 96% min. (GC)
• Linear Formula: (CH₃)₂C₆H₆(=O)
• MDL Number: MFCD00009695
• Synonym: 4,4-dimethyl-2-cyclohexen-1-one, 4,4-dimethylcyclohex-2-enone, 2-cyclohexen-1-one, 4,4-dimethyl, 4,4-dimethyl-2-cyclohexenone, 4,4-dimethylcyclohexenone, 4,4-dimethyl-2-cyclohexene-1-one, 4,4-dimethyl-cyclohex-2-en-1-one, pubchem17152, acmc-1bxzo, 3,3-dimethylcyclohexene-6-one
• SMILES: CC1(C)CCC(=O)C=C1
• Molecular Weight (g/mol): 124.18
• Formula Weight: 124.18
• Physical Form: Liquid

• CAS Min %: 96.0
• Color: Brown
• Boiling Point: 72.0°C to 73.5°C (20.0 mmHg)
• Infrared Spectrum: Authentic
• Molecular Formula: C8H12O
• Refractive Index: 1.4710 to 1.4740
• Specific Gravity: 0.94
• InChI Key: HAUNPYVLVAIUOO-UHFFFAOYSA-N
• IUPAC Name: 4,4-dimethylcyclohex-2-en-1-one
• PubChem CID: 136839
• Percent Purity: 97%
• Chemical Name or Material: 4, 4-Dimethyl-2-cyclohexen-1-one

Safety and Handling

GHS H Statement
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.
Harmful if swallowed.

GHS P Statement
Wear protective gloves/protective clothing/eye protection/face protection.
IF ON SKIN: Wash with plenty of soap and water.
IF IN EYES: Rinse cautiously with water for several minutes.
Remove contact lenses,if present a

GHS Signal Word: Warning

RUO – Research Use Only