n-Dodecane

Reported in EPA TSCA Inventory.

The Dodecane is an organic compound with the formula C₁₂H₂₆. The IUPAC name of this chemical is dodecane. With the CAS registry number 112-40-3, it is also named as N-Dodecan. The product's categories are Pharmaceutical Intermediates; Analytical Chemistry; n-Paraffins (GC Standard); Standard Materials for GC; Alpha Sort; DAlphabetic; DJ - DZ; Volatiles/ Semivolatiles; Anhydrous Grade Solvents Solvents; Solvent Bottles; Solvents; Sure/Seal? Bottles; Alphabetic; D; DJ - DZChemical Class; Hydrocarbons; Neats; Acyclic;Alkanes; Organic Building Blocks; Amber Glass Bottles; ReagentPlus(R) Solvent Grade Products; ReagentPlus(R)Solvents. Besides, it should be stored in a cool and dry place. It is used as intermediates in organic synthesis.

Physical properties about Dodecane are: (1)ACD/LogP: 7.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.13; (4)ACD/LogD (pH 7.4): 7.13; (5)ACD/BCF (pH 5.5): 154908.05; (6)ACD/BCF (pH 7.4): 154908.05; (7)ACD/KOC (pH 5.5): 180564.28; (8)ACD/KOC (pH 7.4): 180564.28; (9)#Freely Rotating Bonds: 9; (10)Index of Refraction: 1.422; (11)Molar Refractivity: 57.64 cm³; (12)Molar Volume: 226.6 cm³; (13)Polarizability: 22.85×10^-24cm³; (14)Surface Tension: 25.5 dyne/cm; (15)Density: 0.751 g/cm³; (16)Flash Point: 71.1 °C; (17)Enthalpy of Vaporization: 43.4 kJ/mol; (18)Boiling Point: 216.1 °C at 760 mmHg; (19)Vapour Pressure: 0.209 mmHg at 25°C.

Preparation: this chemical can be prepared by dodecanoic acid. This reaction will need reagent hydriodic acid and phosphorus. The reaction temperature is 210 - 240 °C.

When you are using this chemical, please be cautious about it as the following:
It may cause lung damage if swallowed. If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label. This material and its container must be disposed of as hazardous waste. Besides, this chemical is Repeated exposure may cause skin dryness or cracking.

You can still convert the following datas into molecular structure:
(1)SMILES: C(CCCCCCCC)CCC
(2)InChI: InChI=1/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
(3)InChIKey: SNRUBQQJIBEYMU-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
(5)Std. InChIKey: SNRUBQQJIBEYMU-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intravenous	2672mg/kg (2672mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)	Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.
rat	LC50	inhalation	> 142ppm/8H (142ppm)		Pharmacology and Toxicology Vol. 62, Pg. 259, 1988.