| Identification | More | [Name]
2-Undecanone | [CAS]
112-12-9 | [Synonyms]
2-hendecanone
2-UNDECANONE
FEMA 3093
METHYL N-NONYL KETONE
METHYL NONYL KETONE
2-Undecanon
Ketone, methyl nonyl
Methyl-nonylketon
Mgk dog & cat repellent
Mgk dog and cat repellent
mgkdogandcatrepellent
Nonyl methyl ketone
nonylmethylketone
undecan-2-
Undecan-2-one
Undecanone-(2)
UNDECANAL 96+% FCC
2-UNDECANONE, 1GM, NEAT
2-UNDECANONE 98+% FCC
2-UNDECANONE OEKANAL | [EINECS(EC#)]
203-937-5 | [Molecular Formula]
C11H22O | [MDL Number]
MFCD00009583 | [Molecular Weight]
170.29 | [MOL File]
112-12-9.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid | [Melting point ]
11-13 °C(lit.)
| [Boiling point ]
231-232 °C(lit.)
| [density ]
0.825 g/mL at 25 °C(lit.)
| [vapor density ]
5.9 (vs air)
| [vapor pressure ]
<1 mm Hg ( 20 °C)
| [FEMA ]
3093 | [refractive index ]
n20/D 1.43(lit.)
| [Fp ]
192 °F
| [storage temp. ]
Store below +30°C. | [form ]
Liquid | [color ]
Clear colorless to light yellow | [Odor]
at 100.00 %. waxy fruity creamy fatty orris floral | [Stability:]
Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. | [Odor Type]
fruity | [Water Solubility ]
INSOLUBLE | [JECFA Number]
296 | [Merck ]
14,6104 | [BRN ]
1749573 | [Dielectric constant]
8.4000000000000004 | [LogP]
3.69 at 25℃ | [CAS DataBase Reference]
112-12-9(CAS DataBase Reference) | [NIST Chemistry Reference]
2-Undecanone(112-12-9) | [EPA Substance Registry System]
Methyl nonyl ketone (112-12-9) |
| Safety Data | Back Directory | [Hazard Codes ]
N | [Risk Statements ]
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S61:Avoid release to the environment. Refer to special instructions safety data sheet . | [RIDADR ]
UN3082 | [WGK Germany ]
2
| [RTECS ]
YQ2820000
| [TSCA ]
Yes | [HazardClass ]
9 | [PackingGroup ]
III | [HS Code ]
29141990 | [Safety Profile]
Moderately toxic by
ingestion. Combustible when exposed to
heat or flame; can react with oxidizing
materials. To fight fLt-e, use CO2, dry
chemical. When heated to decomposition it
emits acrid smoke and irritating fumes. See
also KETONES. | [Hazardous Substances Data]
112-12-9(Hazardous Substances Data) | [Toxicity]
LD50 dermally in rabbits: >5 g/kg; LD50 orally in rats, mice: >5, 3.88 g/kg (Opdyke) |
| Hazard Information | Back Directory | [Chemical Properties]
2-Undecanone has a characteristic rue odor with a sweet flavor reminiscent of peach (on dilution). | [Chemical Properties]
colourless liquid | [Physical properties]
Methyl nonyl ketone (MNK) is a clear mobile liquid, with a strong characteristic smell at room temperature that presents a vapour pressure of 11.8 Pascals at 20° C. It has a very low solubility in water and high solubility in organic solvents such as n-heptane, p-xylene, 1,2-dichloroethane, methanol, acetone and ethyl acetate. MNK is not considered highly flammable or explosive or oxidizing. | [Occurrence]
Originally reported found in the essential oils of Ruta graveolens; subsequently was identified in the essential
oils of Citrus limetta Risso., Fagara xanthoxyloides Lamm. and Litsea odorifera Val. (leaves); a method for the determination of
methyl nonyl ketone in various rue species (Ruta montana, Ruta bracteosa) was devised; it is also present in the essential oils of
Jaborandi (leaves), Hottuynia cordata, Phellodendron anaurense, Schizandar nigra Maxim., and in coconut and palm oils; also
identified as the main constituent of the essential oil of Boronia ledifolia Gai; a 92% content level was reported in the essential
oil of Ruta chalepensis. Also reported found in rabbiteye, blueberry, feijoa fruit, feijoa peel, peach, raspberry, fresh black berry,
heated blackberry, strawberry jam, guava, allium, cloves, raw asparagus, shallot, roasted onion, ginger, Curcuma aeruginosa Roxb.,
Curcuma heyneana Val., banana, grapefruit, currants, peach, asparagus, shallot, onion, leek, chive, peas, potato, clove, ginger, pepper,
many cheeses, wheaten bread, butter, milk, cream, yogurt, milk powder, goat and sheep milk, caviar, raw and smoked fatty fish,
roast chicken, cooked beef, beef, chicken and pork fat, hop oil, beer, cognac, rum, sparkling wine, coffee, tea, roasted filberts and
peanuts, coconut meat, milk and oil, passion fruit, mushroom, wild marjoram, starfruit, Brazil nut, cardamom, rice, buckwheat, corn
oil, wort, elder flower, shrimp, crayfish, clam, maté and mastic gum leaf and fruit oil. | [Uses]
In the compounding of some synthetic essential oils. As fragrance additive in soaps, detergents, creams, lotions, and perfume. As dog and cat repellant. | [Definition]
ChEBI: A dialkyl ketone with methyl and nonyl as the two alkyl groups. | [Preparation]
Can be isolated from natural oils by fractional distillation; also by dry distillation of calcium acetate and calcium caprylate,
or by boiling octylacetoacetic acid ethyl ester with and alcoholic KOH solution. | [Aroma threshold values]
Detection: 7 to 82 ppb | [Taste threshold values]
Taste characteristics at 30 ppm: waxy and fruity with creamy cheese notes | [Synthesis Reference(s)]
Tetrahedron Letters, 23, p. 3411, 1982 DOI: 10.1016/S0040-4039(00)87629-7
The Journal of Organic Chemistry, 64, p. 2433, 1999 DOI: 10.1021/JO982239S | [General Description]
2-Undecanone is a naturally available nontoxic insect repellant, introduced as an alternative to insect repellants containing N,N-diethyl-meta-toluamide. It is isolated from the trichomes of wild tomatoes 2-Undecanone is also a volatile constituent, identified in milk and Houttuynia cordata Thunb?(HCT), a traditional Chinese medicine. | [Flammability and Explosibility]
Notclassified | [Biochem/physiol Actions]
Taste: @ 10 ppm. | [Synthesis]
2-Undecanone's three synthesis methods is as follows:1) by oxidation of Undecanol-2.2) from Decanoic acid and Acetic acid, heated over Thorium oxide to 450℃.3) The isolation from Rue oil is of no commercial importance. |
|
|