TRIAZOLE FUNGICIDE INTERMEDIATE
Pinacolone
Pinacolone (3,3-dimethyl-2-butanone) in two grades — superior 97% and first-class 95% — with water ≤1.0% (m/m), for triazole fungicides, plant growth regulators and pharmaceutical intermediates.
Export control
Pinacolone (CAS 75-97-8) is a controlled dual-use chemical. Export from China requires the applicable dual-use export licence and end-user documentation. The requirement applies to sample quantities unless the licensing authority confirms an exemption.
Pinacolone appears on these control lists:
Australia Group Chemical Weapons Precursors Control List
Regulation (EU) 2021/821, Annex I, entry 1C350.39
UK Strategic Export Control List, entry 1C350.39
US Export Administration Regulations, Supplement No. 1 to Part 774, ECCN 1C350.d.39
China Dual-Use Items Export Control List (2024), item 1C450.c.20, monitored chemicals (Category 3)
Pinacolone is controlled as a chemical-weapons precursor and is not itself scheduled under the Chemical Weapons Convention.
What the Chinese licensing process requires from the buyer:
An end-user and end-use certificate issued by the end user. The Ministry of Commerce may also require a certificate issued or certified by the end user's government.
For Category 3 monitored chemicals, a guarantee issued by the government of the importing country, or by an agency it authorizes, that the chemical will not be used to produce chemical weapons and will not be re-transferred to a third country.
An undertaking that the end user will not change the end use or transfer the item to a third party without permission.
Only designated units may handle the import or export of Category 3 monitored chemicals in China. A single licence covers one export to one end user and is valid for up to one year; a general licence for repeated exports is valid for up to three years and requires an internal compliance programme and an export record. The Regulations set a decision period of 45 working days, which does not run while expert review or checks are under way. This is the regulator's review period and not a delivery time.
An enquiry for pinacolone states the end user, the downstream product, the plant location and the destination country. Buyers who intend to re-export pinacolone should check the national rules that apply to them, since the material is also listed in the EU, UK and US control lists above.
Overview
Pinacolone
Pinacolone (3,3-dimethyl-2-butanone, also called methyl tert-butyl ketone) is a branched ketone. Its largest use is in triazole fungicides and plant growth regulators, where it supplies the tert-butyl ketone fragment of molecules such as triadimefon, tebuconazole and paclobutrazol.
It is offered in two grades: superior grade at 97% and first-class grade at 95% pinacolone, both with water at no more than 1.0% (m/m). The choice between them usually follows the impurity tolerance of the buyer's downstream step.
Pinacolone is also used for pharmaceutical intermediates and as a solvent for coatings and resins.
Product identification
Product identification
| Product Name | Pinacolone |
| Other names | 3,3-Dimethyl-2-butanone; methyl tert-butyl ketone |
| CAS Number | 75-97-8 |
| HS Code | 2914.19 |
| Molecular Formula | C₆H₁₂O |
| Molecular Weight | 100.16 g/mol |
| Purity | 97% (superior grade) / 95% (first-class grade) |
| Appearance | Colorless, clear homogeneous liquid |
Quality specification
Quality specification
Sales specification by grade
| Parameter | Superior grade | First-class grade | Unit |
|---|---|---|---|
| Pinacolone content | ≥ 97 | ≥ 95 | % |
| Water | ≤ 1.0 | ≤ 1.0 | % (m/m) |
What the limits mean
What the limits mean
Two grades
Superior (97%) and first-class (95%) grades differ in pinacolone content. Select the grade by the impurity tolerance of the downstream reaction.
Water ≤1.0% (m/m)
Water is relevant where pinacolone goes into chlorination or condensation steps. 1.0% is the maximum for both grades.
Flash point 5 °C
Pinacolone is a highly flammable liquid. Store it at or below 37 °C in closed containers away from ignition sources.
Applications
Applications by industry
1
Agrochemicals
Key raw material for triazole fungicides and plant growth regulators.
Triazole fungicides such as triadimefon and tebuconazole
Plant growth regulators such as paclobutrazol
2
Pharmaceutical intermediates
Building block for molecules that carry a tert-butyl group.
Pharmaceutical intermediates with a tert-butyl ketone motif
3
Coatings and resins
Ketone solvent.
Solvent for coatings and resins
Technical Specifications
Physical and chemical properties
| Parameter | Value | Unit |
|---|---|---|
| Density (20 °C) | 0.801 | g/cm³ |
| Boiling point | 106 | °C |
| Melting point | -52.4 | °C |
| Flash point (closed cup) | 5 | °C |
| Solubility in water | Slightly soluble | - |
| Refractive index (20 °C) | 1.3960 | - |
Packaging & Shipping
Packaging, storage and transport
Packaging
Blue PE drum – 167 kg
ISO tank – Bulk
Shipping & Storage
Storage: Store at or below 37 °C in closed containers in a well-ventilated area, away from ignition sources and strong oxidizers.
Hazardous: Yes - DG transport required
Origin: Produced by a large-scale C5 processing partner in Shandong, China. Easier Materials is the export partner.
Commercial terms: MOQ, lead time and delivery terms are quoted per enquiry.
Regulatory and transport data
| Item | Value |
|---|---|
| EC number | 200-920-4 |
| UN number | UN 1224, as listed in a supplier safety data sheet |
| Transport class and packing group | Class 3 (flammable liquid), packing group II |
| GHS signal word | Danger |
| GHS hazard statements | H225 (highly flammable liquid and vapor); H302 (harmful if swallowed); H332 (harmful if inhaled). Some notifications and supplier data sheets add H315, H319, H335 and H412. |
| HS code | 2914.19 (ketones; acyclic, without other oxygen function, not elsewhere specified in 2914.1) |
| Export control | Dual-use listed (Australia Group; EU and UK 1C350.39; US 1C350.d.39; China 1C450.c.20). A dual-use export licence is required. |
| Japan Fire Service Act | Class 4 hazardous material, first petroleum class |
| Inventory listings | The substance is listed on the Australian AIIC. For EU REACH, registration dossiers for the substance are on the ECHA list; whether they cover a given import route is for the importer to confirm. |
| Further synonyms | tert-Butyl methyl ketone; 3,3-dimethylbutan-2-one; Pinakolin and Pinakolon (German-language usage) |
Application chemistry
The tert-butyl ketone group of pinacolone is the common head group of a family of triazole fungicides and growth regulators. Liquid-phase chlorination, usually in methanol, gives 1-chloropinacolone in reported yields of 85–93%. Condensation with 1H-1,2,4-triazole under base gives α-triazolyl pinacolone, the intermediate named for paclobutrazol, uniconazole and diniconazole. Paclobutrazol follows by condensation with 4-chlorobenzyl chloride and reduction of the ketone.
Triadimefon is made from dichloropinacolone: reaction with 4-chlorophenol, then introduction of the triazole. Reducing the ketone (with sodium borohydride, by catalytic hydrogenation or with aluminium isopropoxide) gives triadimenol, a seed-treatment fungicide. Tebuconazole follows a different route: 4-chlorobenzaldehyde is condensed with pinacolone under base, the product is hydrogenated over Raney nickel to 1-(4-chlorophenyl)-4,4-dimethylpentan-3-one, and epoxidation through a sulfonium salt is followed by ring opening with 1,2,4-triazole at 90–150 °C. Bitertanol and diclobutrazol are also listed as pinacolone derivatives.
Metribuzin, a triazinone herbicide, is made from 3,3-dimethyl-2-oxobutyric acid (trimethylpyruvic acid). This keto acid is obtained from pinacolone, historically by permanganate oxidation; condensation with thiocarbohydrazide and S-methylation complete the molecule. A route to trimethylpyruvic acid through pivaloyl cyanide is also published.
Pure pinacolone has a peppermint- or camphor-like odor. It dissolves in water to about 2.4% at 15 °C and is soluble in alcohol, ether and acetone.
How this grade compares
Published laboratory and synthesis-grade listings for pinacolone are at 97% (gas chromatography), the level of the superior grade here. Both grades carry water ≤1.0% (m/m).
Storage and shelf life
Autoignition temperature 520 °C; closed-cup flash point 5 °C.
Documentation
Documentation
TDS and MSDS available on request
FAQ
Frequently Asked Questions
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