| Identification | More | [Name]
6-Methyl-5-hepten-2-one | [CAS]
110-93-0 | [Synonyms]
2-METHYL-2-HEPTEN-6-ONE
6-METHYL-5-HEPTEN-2-ONE
6-METHYL-5-HEPTENE-2-ONE
6-METHYL-HEPT-5-EN-2-ONE
FEMA 2707
METHYL HEPTENONE
Methyl isohexenyl ketone
2-Methyl-6-oxo-2-heptene
2-methylhept-2-en-6-one
2-Oxo-6-methylhept-5-ene
5-Hepten-2-one,6-methyl-
6-methyI-5-hepten-2-one
6-methyl-5-hepten-2-on
6-Methyl-5-hepten-2-one,(2-2-6)
6-methylhept-
6-methylhept-5-en
6-Methyl-hept-5-en-2-on
-Methyl hept-5-en-2-one
Methyl-(4-methyl-3-pentenyl)-keton
methyl-5-hepten-2-one | [EINECS(EC#)]
203-816-7 | [Molecular Formula]
C8H14O | [MDL Number]
MFCD00008905 | [Molecular Weight]
126.2 | [MOL File]
110-93-0.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR SLIGHTLY YELLOW LIQUID | [Melting point ]
-67.1 °C | [Boiling point ]
73 °C18 mm Hg(lit.) | [density ]
0.855 g/mL at 25 °C(lit.)
| [vapor pressure ]
1.121hPa at 20℃ | [FEMA ]
2707 | [refractive index ]
n20/D 1.439(lit.)
| [Fp ]
123 °F
| [storage temp. ]
Flammables area | [solubility ]
Soluble in methanol and chloroform. | [form ]
neat | [color ]
Colorless to Light yellow | [Specific Gravity]
0.855 | [Odor]
at 10.00 % in dipropylene glycol. citrus green musty lemongrass apple | [PH]
6.6 (3g/l, H2O, 25℃) | [explosive limit]
1.1-7.3%(V) | [Odor Type]
citrus | [Water Solubility ]
insoluble | [JECFA Number]
1120 | [BRN ]
1741705 | [LogP]
2.07 at 25℃ | [Uses]
Organic synthesis, inexpensive perfumes, fla-voring. | [CAS DataBase Reference]
110-93-0(CAS DataBase Reference) | [NIST Chemistry Reference]
5-Hepten-2-one, 6-methyl-(110-93-0) | [EPA Substance Registry System]
110-93-0(EPA Substance) |
| Safety Data | Back Directory | [Risk Statements ]
R10:Flammable. | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 1224 3/PG 3
| [WGK Germany ]
1
| [RTECS ]
MJ9700000
| [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29141990 | [Safety Profile]
Moderately 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. | [Toxicity]
The 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). |
| Hazard Information | Back Directory | [Description]
6-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 Properties]
6-Methyl-5-hepten-2-one has a strong, fatty, green, citrus-like odor and bittersweet taste reminiscent of pear. | [Chemical Properties]
6-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. | [Chemical Properties]
CLEAR SLIGHTLY YELLOW LIQUID | [Occurrence]
Originally 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 | [Definition]
ChEBI: 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. | [Preparation]
From 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 values]
Detection: 50 ppb | [Taste threshold values]
Taste 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 | [General Description]
6-Methyl-5-hepten-2-one is one of the main flavor volatile of tomatoes. | [Flammability and Explosibility]
Flammable |
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