Isophorone, 97%, Thermo Scientific Chemicals

Product Code	Brand	Quantity	Packaging
10518860	Thermo Scientific Acros 122640050	5 mL	Glass bottle
10021210	Thermo Scientific Acros 122645000	500 mL	Glass bottle
10550971	Thermo Scientific Acros 122640010	1 L	Glass bottle
13478328	Thermo Scientific Acros 122640025	2.5 L	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: 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(C)(C)C1

Specifications

• CAS: 78-59-1
• Color: Colorless to Yellow
• Boiling Point: 213.0°C to 214.0°C
• Infrared Spectrum: Authentic
• Molecular Formula: C9H14O
• MDL Number: MFCD00001584
• Merck Index: 15,5242
• 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
• Viscosity: 2.6 mPa.s (20°C)
• Percent Purity: 97%
• Chemical Name or Material: Isophorone, 98%

• Melting Point: -8.0°C
• Density: 0.9200g/mL
• Flash Point: 84°C
• Assay Percent Range: 96% min. (GC)
• Refractive Index: 1.4770 to 1.4790
• Beilstein: 07,65
• Specific Gravity: 0.92
• Solubility Information: Solubility in water: 12g/L (20°C). Other solubilities: soluble in alcohol,ether,acetone
• SMILES: CC1=CC(=O)CC(C)(C)C1
• Molecular Weight (g/mol): 138.21
• ChEBI: CHEBI:34800
• Formula Weight: 138.21
• Physical Form: Liquid

Safety and Handling

GHS H Statement
Harmful if swallowed.
Causes serious eye irritation.
May cause respiratory irritation.
Harmful in contact with skin.
Suspected of causing cancer.

GHS P Statement
IF ON SKIN: Wash with plenty of soap and water.
Call a POISON CENTER or doctor/physician if you feel unwell.
IF IN EYES: Rinse cautiously with water for several minutes.
Remove contact lenses,if present and easy to do.

GHS Signal Word: Warning

missing translation for 'einecsNumber' : 201-126-0

missing translation for 'rtecsNumber' : GW7700000

missing translation for 'tsca' : TSCA

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.

RUO – Research Use Only