5-Methyl-3-hexen-2-one
5-Methyl-3-hexen-2-one (CAS: 5166-53-0), a C7 ketone with the linear formula (CH 3)2CHCH=CHCOCH 3, is a versatile organic building block. With a molecular weight of 112.17 g/mol, it is commonly employed in chemical synthesis, particularly in the creation of mercaptoketones and mercaptoalcohols. Tech Serve Solutions supplies this compound as a technical grade material.

Organic Synthesis Intermediate
5-Methyl-3-hexen-2-one serves as a key intermediate in various organic syntheses. Its unsaturated ketone structure allows for diverse chemical transformations.
Mercaptoketone and Mercaptoalcohol Synthesis
This compound has been utilised in the combinatorial synthesis of mercaptoketones and mercaptoalcohols, contributing to the development of new chemical entities.
Building Block for Fine Chemicals
As an organic building block, 5-Methyl-3-hexen-2-one is valuable for constructing more complex molecules in the fine chemical industry.
| Molecular weight | 112.17 |
|---|---|
| Linear formula | (CH3)2CHCH=CHCOCH3 |
| Assay | 75% |
| Grade | technical grade |
| Density | 0.85 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.44(lit.) |
| Impurities tested | <25% 5-methyl-4-hexen-2-one |
| Application | 5-Methyl-3-hexen-2-one was used in combinatorial synthesis of mercaptoketones and mercaptoalcohols1. |


Hazard statements
- H226Flammable liquid and vapour
- H302Harmful if swallowed
- H311Toxic in contact with skin
- H331Toxic if inhaled
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P280Wear protective gloves, clothing and eye/face protection
- P311Call a POISON CENTER or doctor
| Flash point | 48 °C / 118.4 °F |
|---|---|
| Transport (UN / ADR) | UN 1992 3/PG 3 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | T |
| Risk statements (R) | 10-20/22-24 |
| Safety statements (S) | 36/37-45 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
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.
What is 5-Methyl-3-hexen-2-one used for?
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5-Methyl-3-hexen-2-one is primarily used as a building block in organic synthesis, notably in the preparation of mercaptoketones and mercaptoalcohols. It is also employed in combinatorial synthesis.
What are the CAS number and molecular formula for 5-Methyl-3-hexen-2-one?
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The CAS number for 5-Methyl-3-hexen-2-one is 5166-53-0, and its linear formula is (CH 3)2CHCH=CHCOCH 3.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 5-Methyl-3-hexen-2-one as a technical grade material with an assay of 75%, containing less than 25% 5-methyl-4-hexen-2-one. We do not represent this product as USP, BP, or EP grade.
How should 5-Methyl-3-hexen-2-one be handled?
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5-Methyl-3-hexen-2-one is a flammable liquid and vapour (H226), harmful if swallowed (H302), and toxic in contact with skin (H311) and if inhaled (H331). Handle with appropriate personal protective equipment in a well-ventilated area. Refer to the Safety Data Sheet for full details.
Is 5-Methyl-3-hexen-2-one a controlled substance?
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The provided data does not indicate that 5-Methyl-3-hexen-2-one is a controlled substance.
How can I request a quote or sample?
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To request a quote or sample of 5-Methyl-3-hexen-2-one, please contact our sales team through the website or by phone.
How is 5-Methyl-3-hexen-2-one packaged and exported?
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5-Methyl-3-hexen-2-one is exported according to international shipping regulations for flammable and toxic substances. Packaging details can be provided upon request.
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