ChemicalBook > Product Catalog > Flavors and fragrances > Synthetic fragrances > Ketones spices > Acyclic aliphatic Ketones > 6-Methyl-5-hepten-2-one
6-Methyl-5-hepten-2-one Chemical Properties
- Melting point:-67.1 °C
- Boiling point:73 °C18 mm Hg(lit.)
- Density 0.855 g/mL at 25 °C(lit.)
- FEMA 2707 | 6-METHYL-5-HEPTEN-2-ONE
- refractive index n
- Flash point:123 °F
- storage temp. Sealed in dry,2-8°C
- solubility Soluble in methanol and chloroform.
- form neat
- Specific Gravity0.855
- PH6.6 (3g/l, H2O, 25℃)
- explosive limit1.1-7.3%(V)
- Water Solubility insoluble
- JECFA Number1120
- BRN 1741705
- CAS DataBase Reference110-93-0(CAS DataBase Reference)
- NIST Chemistry Reference5-Hepten-2-one, 6-methyl-(110-93-0)
- EPA Substance Registry System6-Methyl-5-hepten-2-one (110-93-0)
- Risk Statements 10-36/37/38
- Safety Statements 16-24/25
- RIDADR UN 1224 3/PG 3
- WGK Germany 1
- RTECS MJ9700000
- TSCA Yes
- HazardClass 3
- PackingGroup III
- HS Code 29141990
- ToxicityThe acute oral LD50 in rats was reported as 3.5 g/kg (B?r & Griepentrog, 1967) and as 4T g/kg (3.33-5.04 g/kg) (Keating, 1972). The acute dermal LD50 exceeded 5 g/kg (Keating, 1972).
6-Methyl-5-hepten-2-one Usage And Synthesis
- Description6-Methyl-5-hepten-2-one has a strong, fatty, green, citrus-like odor, and a bittersweet taste reminiscent of pear. May be prepared from oil of lemongrass or from citral by refluxing for 12 hours in aqueous solution containing K2C 03, and subsequent distillation and vacuum fractionation; from acetoacetic ester and methylbuten-3-ol-2 with aluminum alcoholate in Carroll’s reaction followed by pyrolysis of the ester.
- Chemical Properties6-Methyl-5-hepten-2-one has a strong, fatty, green, citrus-like odor and bittersweet taste reminiscent of pear.
- Chemical PropertiesCLEAR SLIGHTLY YELLOW LIQUID
- Chemical Properties6-Methyl-5-hepten-2-one is an important intermediate in the synthesis of terpenoids. Its odor properties are not impressive. It occurs in nature as a degradation product of terpenes. (Z)- and (E)-Tagetone, [3588-18-9], [6752-80-3], are major components of tagetes oil. Solanone [1937-54-8] and pseudoionone [141-10-6] are acyclicC13 ketoneswith a terpenoid skeleton. Solanone is one of the flavor-determining constituents of tobacco, and pseudoionone is an intermediate in the synthesis of ionones.
- OccurrenceOriginally identified in lemongrass; it has been reported found in the essential oils of palmarosa, lemon, citronella, vervain, geranium, Ocimum canum, Artemisia scoparia, Urtica dioica and others. Also reported found in apple, apricot, sweet and sour cherry, orange juice, citrus peel oils, bilberry, lingonberry, cranberry, guava, grapes, melon, peach, pear, raspberry, strawberry, blackberry, carrot, celery, tomato, potato, clove bud and leaf, ginger, peppermint oil, thymus, Gruyere cheese, butter, beef, hop oil, beer, cognac, cider, white wine, cocoa, tea, peanut oil, avocado, Arctic bramble, cloudberry, olive, passion fruit, plumcot, rose apple, marjoram, starfruit, mango, fig, rice, rice bran, quince, origanum, calamus, buckwheat, corn oil, wort, dried bonito, elderberry, cherimoya, kiwifruit, mountain papaya, endive, lemon balm, clary sage, nectarine, clam, Cape gooseberry, maté, German chamomile oil and mastic gum leaf oil, lime oil and apple brandy
- UsesOrganic synthesis, inexpensive perfumes, fla-voring.
- DefinitionChEBI: A heptenone that is hept-5-en-2-one substituted by a methyl group at position 6. It is a volatile oil component of citronella oil, lemon-grass oil and palmarosa oil.
- PreparationFrom oil of lemongrass or from citral by refluxing for 12 hours in aqueous solution containing K2CO3, and subsequent distillation and vacuum fractionation; from acetoacetic ester and methyl-buten-3-ol-2 with aluminum alcoholate in Carroll’s reaction followed by pyrolysis of the ester
- Aroma threshold valuesDetection: 50 ppb
- Taste threshold valuesTaste characteristics at 10 ppm: green, vegetative, musty, apple, banana and green bean-like.
- Synthesis Reference(s)Tetrahedron Letters, 28, p. 4893, 1987 DOI: 10.1016/S0040-4039(00)96654-1
Synthesis, p. 796, 1981 DOI: 10.1055/s-1981-29599
- Safety ProfileModerately toxic by ingestion. A skin irritant. Flammable liquid when exposed to heat, sparks, or flame. When heated to decomposition it emits acrid smoke and irritating fumes.
6-Methyl-5-hepten-2-one Preparation Products And Raw materials
- 2,3-DIMETHOXY-5-METHYL-6-[ALL TRANS]FARNESYLFARNESYL-1,4-BENZOQUINONE (5E,9E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one 1,4,9-Androstatriene-3-17-dione LAPACHOL 6-Methyl-5-octen-2-one 6-ACETYL-3-METHYL-2-CYCLOHEXENE-1-ONE FEMA 3829 ubiquinone 7 VITAMIN K1 4-Ethyl-5-fluoropyrimidine 9(11), (5-BETA)-ANDROSTEN-3-ALPHA-OL-17-ONE Geranylacetone PENTENYL CYCLOPENTANONE Methyl cyclopentenolone Clethodim Parathion-methyl Quinocetone Methyl
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