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Isophorone

CAS 78-59-1C9H14OChemical Synthesis

Isophorone (CAS 78-59-1), with the chemical formula C9H14O and a molecular weight of 138.21 g/mol, is a cyclic ketone known for its distinct odour and versatile chemical properties. It serves as a key intermediate in the synthesis of various chemical products. Its applications span across industries, primarily as a solvent and a building block for more complex molecules, making it a valuable compound in organic synthesis and material science.

IUPAC
3,5,5-Trimethyl-2-cyclohexen-1-one
Synonyms
3,5,5-Trimethyl-2-cyclohexen-1-one
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Isophorone (C9H14O) — chemical structure, CAS 78-59-1; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksCarbonyl CompoundsChemical SynthesisKetones
01 /Applications

Solvent Applications

Isophorone is an effective high-boiling solvent for a wide range of resins, including vinyls, epoxies, and acrylates. Its slow evaporation rate makes it suitable for coatings, inks, and adhesives where controlled drying times are necessary.

Chemical Synthesis Intermediate

As a cyclic ketone, Isophorone is a crucial building block in organic synthesis. It is used in the production of isophorone diamine (IPDA) and isophorone diisocyanate (IPDI), which are monomers for high-performance polyurethanes and epoxy curing agents.

Pesticide and Herbicide Formulations

It finds utility as a solvent and co-solvent in the formulation of certain agricultural chemicals, aiding in the dissolution and application of active ingredients.

Fragrance and Flavour Industry

While less common, Isophorone derivatives can be employed in the synthesis of compounds used in the fragrance industry due to their specific olfactory characteristics.

02 /Properties
Molecular weight138.21
Empirical formulaC9H14O
Assay≥97.0% (GC)
Boiling point213-214 °C(lit.)
Density0.923 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.476(lit.)n20/D 1.478
Vapour pressure0.2 mmHg (20 °C)
Melting point−8 °C(lit.)
Vapour density4.77 (vs air)
Autoignition temp864 °F
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
GHS hazard pictogram: Health hazard (GHS08)
Health hazard
Warning

Hazard statements

  • H302Harmful if swallowed
  • H312Harmful in contact with skin
  • H319Causes serious eye irritation
  • H335May cause respiratory irritation
  • H351Suspected of causing cancer

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P280Wear protective gloves, clothing and eye/face protection
  • P305IF IN EYES
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point96 °C / 204.8 °F
Transport (UN / ADR)UN 3082 9 / PGIII
Water hazard class (WGK, DE)1
Hazard codes (EU)Xn
Risk statements (R)21/22-36/37-40
Safety statements (S)13-23-36/37/39-46

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
78-59-1
MDL number
MFCD00001584
PubChem substance
24895951
Beilstein registry
1280721
05 /Additional specifications
Expl Lim3.8 %
06 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

07 /Frequently asked questions

What is Isophorone primarily used for?

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Isophorone is primarily used as a high-boiling solvent for resins and as a chemical intermediate in the synthesis of other compounds like IPDA and IPDI, which are used in polyurethanes and epoxy resins.

What are the CAS number and chemical formula for Isophorone?

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The CAS number for Isophorone is 78-59-1, and its chemical formula is C9H14O.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies Isophorone with a purity of ≥97.0% (GC). We do not represent this product as USP, BP, or EP grade.

How should Isophorone be handled safely?

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Isophorone is harmful if swallowed or in contact with skin, and causes skin and eye irritation and may cause respiratory irritation. It is also suspected of causing cancer. Handle with appropriate personal protective equipment, including gloves, eye protection, and respiratory protection, in a well-ventilated area. Refer to the safety data sheet for detailed guidance.

How is Isophorone packed, shipped, and exported?

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Isophorone is typically packed in suitable containers for chemical transport, adhering to regulatory standards for shipping and export. Specific packaging details can be provided upon request.

How can I request a sample or quote for Isophorone?

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To request a sample or obtain a quote for Isophorone, please contact our sales department through the website or by phone.

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