5-METHYL-3-HEPTANONE

5-METHYL-3-HEPTANONE Basic information
Product Name:5-METHYL-3-HEPTANONE
Synonyms:Ethylamylketone~Ethyl2-methylbutylketone;5-Methyl-3-heptanone,96%;METHYL-3-HEPTANONE, 5-(SG);5-METHYL-3-HEPTANONE WITH GC;HEPTAN-3-ON, 5-METHYL;Amyl Ethyl Ketone Ethyl Amyl Ketone;2-methylbutylethylketone;3-Heptanone,5-methyl-
CAS:541-85-5
MF:C8H16O
MW:128.21
EINECS:208-793-7
Product Categories:
Mol File:541-85-5.mol
5-METHYL-3-HEPTANONE Structure
5-METHYL-3-HEPTANONE Chemical Properties
Melting point -56.65°C
Boiling point 157-162 °C (lit.)
density 0.823 g/mL at 25 °C (lit.)
vapor pressure 2.7 hPa (25 °C)
refractive index n20/D 1.414(lit.)
Fp 111 °F
storage temp. Store below +30°C.
solubility 3g/l
form Colorless liquid
color Colorless liquid with a fruity odor
Odorat 100.00 %. herbal sweet oily
Odor Typeherbal
explosive limit0.9-48%(V)
Water Solubility 1.92g/L at 19.9℃
Merck 14,6084
BRN 506345
Henry's Law Constant1.30 x 10-4 atm?m3/mol at 20 °C (approximate - calculated from water solubility and vapor pressure)
Exposure limitsTLV-TWA 130 mg/m3 (25 ppm) (ACGIH).
LogP2.147 at 25℃
CAS DataBase Reference541-85-5(CAS DataBase Reference)
EPA Substance Registry System5-Methyl-3-heptanone (541-85-5)
Safety Information
Hazard Codes Xi
Risk Statements 10-36/37
Safety Statements 23
RIDADR UN 2271 3/PG 3
WGK Germany 1
RTECS MJ7350000
HS Code 2914 19 90
HazardClass 3.2
PackingGroup III
ToxicityLD50 orally in Rabbit: 3500 mg/kg LD50 dermal Rabbit > 16000 mg/kg
IDLA100 ppm
MSDS Information
ProviderLanguage
SigmaAldrich English
5-METHYL-3-HEPTANONE Usage And Synthesis
Chemical PropertiesCLEAR LIGHT YELLOW LIQUID
Chemical Properties5-Methyl-3-heptanone is a colorless liquid of low volatility. It has an agreeable penetrating odor that resembles the essence of apricots and peaches. Threshold odor concentrations of 6 and ,5 ppm have been reported .
UsesSolvent for resins; organic intermediate
Uses
  • 5-Methyl-3-heptanone can be converted into the corresponding gem-dihydroperoxide using aqueous hydrogen peroxide and chlorosulfonic acid as a catalyst at room temperature.
  • It can be reduced to its corresponding alcohol using sodium borohydride in urea/choline chloride eutectic salt.
  • It can undergo condensation with tert-butyl-sulfinamide to form the corresponding chiral tert-butyl-sulfinyl-ketimine, which can further react with ylides derived from trimethylsulfonium iodide and S-allyl tetrahydrothiophenium bromide to form highly substituted chiral aziridines.

UsesEthyl amyl ketone is used as a solvent forvinyl resins and nitrocellulose resins.
Production MethodsU.S. production and importation of 5-methyl-2-heptanone was estimated to be relatively low (<25,000 lb at a single site) in 2005 as data for 5-methyl-2-heptanone were not included in the 2006 U.S. EPA Inventory Update Reporting database.
Health HazardExposure to ethyl amyl ketone can causeirritation of the eyes, nose, and skin. Athigh concentrations its exposure can leadto ataxia, prostration, respiratory pain, andnarcosis. A 5-minute exposure to 50 ppmmay produce a mild irritating effect on theeyes and nose in humans. Inhalation of3000 ppm of ethyl amyl ketone for 4 hourswas highly toxic to mice, and 6000 ppm for8 hours was lethal to rats. The odor thresholdis 6 ppm.
Fire HazardCombustible liquid; flash point (open cup) 59°C (138°F); vapor density 2 torr at 25°C (77°F); fire-extinguishing agent: “alcohol” foam, dry chemical, or CO2; a water spray may be effective to cool it below its flash point. It forms explosive mixtures with air at elevated temperatures; the LEL and UEL values are not reported.
Flammability and ExplosibilityFlammable
Safety ProfileModerately irritating to skin, eyes, and mucous membranes by inhalation and ingestion. Narcotic in high concentration. Flammable liquid when exposed to heat, sparks, or flame. When heated to decomposition it emits acrid smoke. To fight fire, use foam, CO2, dry chemical. See also KETONES.
Environmental fateChemical/Physical. 5-Methyl-3-heptanone will not hydrolyze because it does not contain a hydrolyzable functional group.
Waste DisposalEthyl amyl ketone wastes can be destroyedby incineration or by treatment with moltenmetal salts.
5-METHYL-3-HEPTANONE Preparation Products And Raw materials
Raw materials1-Heptanol
L(-)-Carvone Androstanolone 17-benzoate Adrenosterone 2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester ALPHA-(-)-THUJONE 6-KETOCHOLESTANOL Menthone (+)-CAMPHORCARBOXYLIC ACID 11-KETOANDROSTERONE Diethyl succinosuccinate CORTISONE ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE 1-DECALONE (+)-DIHYDROCARVONE (+)-Camphor Bromide Stanolone Cortisone acetate Oxytetracycline dihydrate

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