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540-09-0

Basic Information
CAS No.: 540-09-0
Name: 12-Tricosanone
Article Data: 26
Molecular Structure:
Molecular Structure of 540-09-0 (12-Tricosanone)
Formula: C23H46 O
Molecular Weight: 338.618
Synonyms: Diundecylketone; Lauron; Laurone; NSC 2200; Undecyl ketone
Density: 0.835g/cm3
Melting Point: 66-68°C
Boiling Point: 404.5°C at 760 mmHg
Flash Point: 71.9°C
Safety: Poison by intravenous route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
PSA: 17.07000
LogP: 8.39730
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Chemistry

Product Name: 12-Tricosanone 
CAS Registry Number: 540-09-0 
Synonyms: 12-Tricosanone ; 4-01-00-03408 (Beilstein Handbook Reference) ; AI3-11254 ; BRN 1789685 ; Di-n-undecyl ketone ; Diundecyl ketone ; EINECS 208-735-0 ; Lauron ; Lauron (VAN) ; Laurone ; NSC 2200 ; Undecyl ketone 
Systematic Name: 12-Tricosanone 
IUPAC Name: tricosan-12-one
Molecular Weight: 338.61074 [g/mol]
Molecular Formula: C23H46O
XLogP3-AA: 10.3
H-Bond Acceptor: 1 
Melting Point: 66-68°C
Surface Tension: 30.4 dyne/cm
Density: 0.835 g/cm3
Flash Point: 71.9 °C
Enthalpy of Vaporization: 65.6 kJ/mol
Boiling Point: 404.5 °C at 760 mmHg
Vapour Pressure: 9.39E-07 mmHg at 25°C 
Following is the molecular structure of 12-Tricosanone (CAS NO.540-09-0) is:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03438,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intravenous route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES
RTECS: YD0805000

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

Descriptors computed from structure, you can know some information about 12-Tricosanone (CAS NO.540-09-0) :
Canonical SMILES: CCCCCCCCCCCC(=O)CCCCCCCCCCC
InChI: InChI=1S/C23H46O/c1-3-5-7-9-11-13-15-17-19-21-23(24)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKey: VARQGBHBYZTYLJ-UHFFFAOYSA-N
Exact Mass: 338.354866
MonoIsotopic Mass: 338.354866
Topological Polar Surface Area: 17.1
Heavy Atom Count: 24