1,1-Dimethylethyl methyl ketone
Pinacolone
CAS: 75-97-8
Molecular Formula: C6H12O
1,1-Dimethylethyl methyl ketone - Names and Identifiers
| Name | Pinacolone |
| Synonyms | Pinacolin PINACOLIN Pinacolone PINACOLONE AKOS BBS-00004455 2,2-dimethylbutanal 3,3-DIMETHYLBUTAN-2-ONE 3,3-DIMETHYL-2-BUTANONE 3,3-dimethylbutan-2-one 3,3-Dimethyl-2-butanone TERT-BUTYL METHYL KETONE tert-Butyl methyl ketone Pinacolin (need import permit) 1,1-Dimethylethyl methyl ketone ALPHA,ALPHA,ALPHA-TRIMETHYLACETONE ted-Butyl methyl ketone-3,3-Dimethyl-2-butanone |
| CAS | 75-97-8 |
| EINECS | 200-920-4 |
| InChI | InChI=1/C6H12O/c1-4-6(2,3)5-7/h5H,4H2,1-3H3 |
| InChIKey | PJGSXYOJTGTZAV-UHFFFAOYSA-N |
1,1-Dimethylethyl methyl ketone - Physico-chemical Properties
| Molecular Formula | C6H12O |
| Molar Mass | 100.16 |
| Density | 0.801g/mLat 25°C(lit.) |
| Melting Point | -52.5 °C |
| Boling Point | 106°C(lit.) |
| Flash Point | 75°F |
| Water Solubility | 2.44 g/100 mL (15 ºC) |
| Solubility | 19g/l |
| Vapor Presure | 23.4mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear colorless to light yellow |
| Merck | 14,7440 |
| BRN | 1209331 |
| Storage Condition | Flammables area |
| Stability | Stable. Incompatible with strong oxidizing agents. Flammable. |
| Refractive Index | n20/D 1.396(lit.) |
| Physical and Chemical Properties | density: 0.8 Melting Point: -52.5-106 °c Boiling Point: 106 ℃ flash point: 17 ℃ |
| Use | It is mainly used for the production of triazole pesticides, such as triadimefon, paclobutrazol, uniconazole, profezin, etc |
1,1-Dimethylethyl methyl ketone - Risk and Safety
| Risk Codes | R11 - Highly Flammable R22 - Harmful if swallowed R10 - Flammable |
| Safety Description | S9 - Keep container in a well-ventilated place. S16 - Keep away from sources of ignition. S29 - Do not empty into drains. S33 - Take precautionary measures against static discharges. S20/21 - |
| UN IDs | UN 1224 3/PG 2 |
| WGK Germany | 2 |
| RTECS | EL7700000 |
| TSCA | Yes |
| HS Code | 29141990 |
| Hazard Note | Irritant/Highly Flammable |
| Hazard Class | 3 |
| Packing Group | II |
1,1-Dimethylethyl methyl ketone - Upstream Downstream Industry
| Downstream Products | Triadimefon |
1,1-Dimethylethyl methyl ketone - Nature
Open Data Verified Data
colorless liquid with mint odor. The relative density was 0. 8102(25 ℃). Melting Point -52.5 °c. Boiling point 106.0~106.1 deg C. Refractive index 1.3952~1.3960(20 degrees C). Soluble in alcohol, ether, ketone, volatile vapor.
Last Update：2024-01-02 23:10:35
1,1-Dimethylethyl methyl ketone - Preparation Method
Open Data Verified Data
- acetone method acetone is first reduced to a frequent alcohol, and then dehydrated and rearranged in acidic medium.
- isoamyl alcohol method isoamyl alcohol high temperature dehydration to produce isopentene, isopentene and formaldehyde in the presence of inorganic acid reaction.
- tert-amyl alcohol method tert-amyl alcohol in hydrochloric acid and formaldehyde condensation, isomerization and rearrangement.
Last Update：2022-01-01 10:16:55
1,1-Dimethylethyl methyl ketone - Use
Open Data Verified Data
for the production of pesticide fungicides benzylchlorotriazole alcohol, triadimefon, triadimenol, triadimefon, enazolone, octylone; And plant growth regulators paclobutrazol, uniconazole, depilazole, imazalil-methyl, etc. It is also used in other organic synthesis.
Last Update：2022-01-01 10:16:55
1,1-Dimethylethyl methyl ketone - Safety
Open Data Verified Data
toxic, mouse subcutaneous injection LD50 700mg/kg.
Last Update：2022-01-01 10:16:56
1,1-Dimethylethyl methyl ketone - Reference Information
| olfactory Threshold | 0.043ppm |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | This product is used as a solvent and extractant. It can also be used in organic synthesis. Reaction with hypochlorous acid can produce trimethylacetic acid; Reaction with alkaline potassium permanganate aqueous solution, is oxidized to trimethylpyruvic acid; And aldehyde, ketone, acetic anhydride are prone to condensation reaction. For the production of pesticide fungicides benzylchlorotriadimenol, triadimefon, triadimenol, triadimefon, triadimefon, oxazolone, oxazolone; And plant growth regulators paclobutrazol, uniconazole, pyrazole, imazalil, etc. It is also used in the production of herbicides and medicinal products. It is mainly used in the production of triazole pesticides, such as triadimefon, paclobutrazol, uniconazole, and profezin. Solvent. Extractant. Organic synthesis |
| production method | 1. Acetone method acetone is first reduced to a frequency alcohol, and then dehydrated and rearranged in acidic medium. Isoamyl alcohol method isoamyl alcohol high temperature dehydration to produce isopentene, isopentene and formaldehyde in the presence of inorganic acid reaction. Tert-amyl alcohol method tert-amyl alcohol in hydrochloric acid and formaldehyde condensation, isomerization and rearrangement derived. Further, boiling treatment with a dilute inorganic acid or a strong organic acid from 4,4, 5-trimethyl-l, 3-dioxane can also give a substantial ketone. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 610 mg/kg; Oral-mouse LD50: 1625 mg/kg |
| flammability hazard characteristics | flammable in case of open flame, high temperature and oxidant; combustion-induced smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from the oxidant |
| extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 extinguishing agent |
| Occupational Standard | SEL 20 mg/m3 |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:01:54
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