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| CAS No.: | 112-12-9 | |||
|---|---|---|---|---|
| Name: | 2-Undecanone | |||
| Molecular Structure: | ||||
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| Formula: | C11H22O | |||
| Molecular Weight: | 170.295 | |||
| Synonyms: | 2-Hendecanone;BioUD;BioUD 30;BioUD 8;Methyl n-nonyl ketone;Methyl nonyl ketone;NSC 4028;Nonyl methyl ketone;Methyl Nonyl Ketone, 2-Hendecanone; | |||
| EINECS: | 203-937-5 | |||
| Density: | 0.821 g/cm3 | |||
| Melting Point: | 11-13 °C(lit.) | |||
| Boiling Point: | 230.8 °C at 760 mmHg | |||
| Flash Point: | 88.9 °C | |||
| Solubility: | Insoluble in water | colorless to pale yellow liquid | ||
| Hazard Symbols: |
 N
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| Risk Codes: | 51/53 | |||
| Safety: | 23-24/25-61 | |||
| Transport Information: | UN 3082 | |||
| PSA: | 17.07000 | |||
| LogP: | 3.71610 | |||
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Chemistry
IUPAC Name: Undecan-2-one
Synonyms of 2-Undecanone (CAS NO.112-12-9): 2-Hendecanone ; 2-Oxoundecane ; Ketone, methyl nonyl ; Methyl n-nonyl ketone ; Methyl nonyl ketone
CAS NO: 112-12-9
The Molecular formula: C11H22O
The Molecular Weight: 170.29
Molecular Structure : 
EINECS: 203-937-5
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 8
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.425
Molar Refractivity: 53.04 cm3
Molar Volume: 207.2 cm3
Surface Tension: 27.5 dyne/cm
Density: 0.821 g/cm3
Boiling Point: 230.8 °C at 760 mmHg
Flash Point: 88.9 °C
Melting Point: 11-13 °C(lit.)
Enthalpy of Vaporization: 44.84 kJ/mol
Vapour Pressure: 0.0978 mmHg at 25°C
Water Solubility: Insoluble
Appearance: colourless liquid
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
SMILES: O=C(CCCCCCCCC)C
InChI: InChI=1/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
InChIKey: KYWIYKKSMDLRDC-UHFFFAOYAV
Std. InChI: InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
Std. InChIKey: KYWIYKKSMDLRDC-UHFFFAOYSA-N
Uses
2-Undecanone (CAS NO.112-12-9) is used in the perfumery and flavoring industries. It has strong odor , thus it is primarily used as an insect repellent or animal repellent. Research has shown that it may be useful as a mosquito repellent, as effective as, or even more effective than, DEET.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 3880mg/kg (3880mg/kg) | Acta Pharmaceutica Jugoslavica. Vol. 12, Pg. 79, 1962. | |
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 13, Pg. 869, 1975. | |
| rat | LD50 | oral | 5gm/kg (5000mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C201, 1991. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information about 2-Undecanone (CAS NO.112-12-9):
Hazard Codes: 
N
Risk Statements: 51/53
R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 23-24/25-61
S23: Do not breathe vapour.
S24/25: Avoid contact with skin and eyes.
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN3082
WGK Germany: 2
RTECS: YQ2820000
HazardClass: 9
PackingGroup: III
HS Code: 29141990
Moderately toxic by ingestion. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Specification
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Will burn if involved in a fire.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed.