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112-40-3

Basic Information
CAS No.: 112-40-3
Name: Dodecane
Article Data: 434
Cas Database
Molecular Structure:
Molecular Structure of 112-40-3 (Dodecane)
Formula: C12H26
Molecular Weight: 170.338
Synonyms: Adakane 12;Ba 51-090453;C12-n-Alkane;NSC 8714;n-Dodecane;
EINECS: 203-967-9
Density: 0.751 g/cm3
Melting Point: -9.6 °C(lit.)
Boiling Point: 216.1 °C at 760 mmHg
Flash Point: 71.1 °C
Solubility: <0.1 g/100 mL at 25 °C
Appearance: colourless liquid
Hazard Symbols: HarmfulXn
Risk Codes: 65-66
Safety: 62-60-36
Transport Information: N/A
PSA: 0.00000
LogP: 4.92720
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    Product Name: Dodecane CAS: 112-40-3 MF: C12H26 MW: 170.33 Mol File: 112-40-3.mol Dodecane Structure Dodecane Chemical Properties Melting point -9.6 °C (lit.) Boiling point 215-217 °C (lit.) density 0.75 g/mL at 2

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    CAS No.:112-40-3 Other Names:Dodecane MF:C12H26 EINECS No.:203-967-9 Place of Origin:hebei, China Type:Syntheses Material Intermediates Purity:99% Brand Name:hbnj Appearance:colorless liquid Shelf life:2 Years MOQ:1 Ton Storage:Cool Dry Pl

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Reported in EPA TSCA Inventory.

Specification

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.