| Identification | More | [Name]
2-Nonanone | [CAS]
821-55-6 | [Synonyms]
2-NONANONE
FEMA 2785
HEPTYL METHYL KETONE
METHYL HEPTYL KETONE
METHYL-N-HEPTYL KETONE
N-HEPTYL METHYL KETONE
NONANONE, 2-
P-[3-(3-METHYLHEPTYL)]ETHYLBENZENE
2-Nonanon
beta-Nonanone
Heptyl-methylketon
Ketone, heptyl methyl
ketone,heptylmethyl
Methylheptylketon
n-C7H15COCH3
Nonan-2-one
2-NONANONE 97+% NATURAL FCC
2-NONANONE, 99+%
2-NONANONE 99+% FCC
2-Nonanone, 98+% | [EINECS(EC#)]
212-480-0 | [Molecular Formula]
C9H18O | [MDL Number]
MFCD00009553 | [Molecular Weight]
142.24 | [MOL File]
821-55-6.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear slightly yellow liquid | [Melting point ]
-21 °C (lit.) | [Boiling point ]
192 °C/743 mmHg (lit.) | [density ]
0.82 g/mL at 25 °C(lit.)
| [vapor density ]
4.9 | [vapor pressure ]
83.2Pa at 25℃ | [FEMA ]
2785 | [refractive index ]
n20/D 1.421(lit.)
| [Fp ]
151 °F
| [storage temp. ]
Store below +30°C. | [solubility ]
0.37g/l | [form ]
Liquid | [color ]
Clear slightly yellow | [Odor]
at 100.00 %. fresh sweet green weedy earthy herbal | [Odor Type]
fruity | [Water Solubility ]
ca 0.5 g/L | [JECFA Number]
292 | [BRN ]
1743645 | [LogP]
3.14 | [CAS DataBase Reference]
821-55-6(CAS DataBase Reference) | [NIST Chemistry Reference]
2-Nonanone(821-55-6) | [EPA Substance Registry System]
821-55-6(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R36:Irritating to the eyes.
R20:Harmful by inhalation. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S39:Wear eye/face protection . | [RIDADR ]
1993 | [WGK Germany ]
1
| [RTECS ]
RA8225000
| [TSCA ]
Yes | [HS Code ]
29141990 | [Toxicity]
LD50 orl-rat: 3200 mg/kg KODAK* -,-,71 |
| Hazard Information | Back Directory | [General Description]
Colorless liquid. | [Reactivity Profile]
Ketones, such as METHYL HEPTYL KETONE(821-55-6), are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4. | [Air & Water Reactions]
Highly flammable. Water insoluble. | [Health Hazard]
May be harmful by inhalation, ingestion, or skin absorption. May cause eye and skin irritation. | [Description]
2-Nonanone has a characteristic rue odor and a rose and teα-like flavor. May be prepared by dry distillation of barium caprylate and barium acetate at 0.5 - 2 mmHg; or by oxidation of methyl heptyl carbinol at room temperature using chromic acid; it can be isolated also from natural products by fractional distillation. | [Chemical Properties]
2-Nonanone has a characteristic rue odor. It has a rose and tea-like flavor. | [Chemical Properties]
Clear slightly yellow liquid | [Occurrence]
Reported found in the essential oil of rue (Ruta angustifolia Pers., R. bracteosa, R. Montana L. and R. gravelolens); also identified in the oil of carnation, in coconut oil and in the distillate from leaves of a variety of Boronia ledifolia; reported
found in mixture with methyl nonyl ketone in the essential oil of Ruta chalepensis. Also reported found in banana, lemon peel oil,
guava, grapes, raisin, melon, raspberry, strawberry fruit and jam, asparagus, leek, onion, cooked potato, tomato, clove, ginger, wheat
bread, many cheeses, butter, yogurt, milk, cream, caviar, fatty fish, meats, hop oil, beer, rum, malt whiskey, grape wines, cognac,
cocoa, coffee, tea, roasted filberts and peanuts, pecans, potato chips, soybean, coconut products, olive, passion fruit, trassi, Brazil nut,
rice, quince, jackfruit, buckwheat, sweet corn, corn oil, wort, dried bonito, krill, cherimoya, Bourbon vanilla, shrimp, clams, scallop,
crayfish, maté and mastic gum leaf and fruit oil | [Uses]
2-Nonanone is used as a component of several food sources and can be used as a flavoring agent. | [Definition]
ChEBI: A methyl ketone that is nonane in which the methylene hydrogens at position 2 are replaced by an oxo group. | [Preparation]
By dry distillation of barium caprylate and barium acetate at 0.5 to 2 mmHg; by oxidation of methylheptyl carbinol at
room temperature using chromic acid; it can be isolated also from natural products by fractional distillation | [Aroma threshold values]
Detection: 5 to 200 ppb
| [Taste threshold values]
Taste characteristics at 20 ppm: cheesy, green, fruity, dairy, dirty, and buttery | [Synthesis Reference(s)]
Journal of the American Chemical Society, 90, p. 5936, 1968 DOI: 10.1021/ja01023a070
Tetrahedron Letters, 29, p. 2885, 1988 DOI: 10.1016/0040-4039(88)85238-9
The Journal of Organic Chemistry, 58, p. 5003, 1993 DOI: 10.1021/jo00070a044 | [Flammability and Explosibility]
Nonflammable | [Safety Profile]
Moderately toxic by ingestion.Combustible when exposed to heat or flame; can reactwith oxidizing materials. To fight fire, use foam, CO2, drychemical. When heated to decomposition it emits acridsmoke and irritating fumes. |
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