2-Undecanone (112-12-9),2-Undecanone (112-12-9) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
2-Undecanone
CAS No.:
112-12-9
Molecular Structure:
Formula:
C₁₁H₂₂O
Molecular Weight:
170.29
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 Details
Transport Information:
UN 3082

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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)	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: Dangerous 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.