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2,3,4-TRIMETHYLPENTANE

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2,3,4-TRIMETHYLPENTANE Basic information
Product Name:2,3,4-TRIMETHYLPENTANE
Synonyms:(CH3)2CHCH(CH3)CH(CH3)2;2,3,4-trimethyl-pentan;2,3,4-Trimethylpentane,>99%;Pentane, 2,3,4-trimethyl-;2,3,4-TRIMETHYLPENTANE;2,3,4-Trimethylpentane >;2,3,4-TRIMETHYLPENTANE ISO 9001:2015 REACH;2,3,4-Trimethylpentane, ≥ 99.0%
CAS:565-75-3
MF:C8H18
MW:114.23
EINECS:209-292-6
Product Categories:Building Blocks;Chemical Synthesis;Acyclic;Alkanes;Organic Building Blocks;Organic Building Blocks
Mol File:565-75-3.mol
2,3,4-TRIMETHYLPENTANE Structure
2,3,4-TRIMETHYLPENTANE Chemical Properties
Melting point -110 °C (lit.)
Boiling point 113-114 °C (lit.)
density 0.719 g/mL at 25 °C (lit.)
vapor pressure 27.0 at 25 °C (Wilhoit and Zwolinski, 1971)
refractive index n20/D 1.404(lit.)
Fp 5°C
solubility Soluble in acetone, alcohol, benzene, chloroform, ether (Weast, 1986); miscible with many aliphatic hydrocarbons
pka>14 (Schwarzenbach et al., 1993)
form clear liquid
color Colorless to Almost colorless
Water Solubility (mg/kg):
1.36 at 25 °C (shake flask-GLC, Price, 1976)
2.34 at 0 °C, 2.30 at 25 °C (shake flask-GC, Polak and Lu, 1973)
BRN 1696869
Henry's Law Constant1.89 at 25 °C (Mackay and Shiu, 1981)
Exposure limitsACGIH TLV: TWA for all isomers 300 ppm (adopted).
InChI1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3
InChIKeyRLPGDEORIPLBNF-UHFFFAOYSA-N
SMILESCC(C)C(C)C(C)C
CAS DataBase Reference565-75-3(CAS DataBase Reference)
EPA Substance Registry System2,3,4-Trimethylpentane (565-75-3)
Safety Information
Hazard Codes F,Xn,N
Risk Statements 11-38-50/53-65-67
Safety Statements 9-16-29-33-60-61-62
RIDADR UN 3295 3/PG 2
WGK Germany 3
RTECS SA3321500
TSCA TSCA listed
HS Code 2901.10.5000
HazardClass 3
PackingGroup II
Storage Class3 - Flammable liquids
Hazard ClassificationsAquatic Acute 1
Aquatic Chronic 1
Asp. Tox. 1
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
2,3,4-TRIMETHYLPENTANE Usage And Synthesis
Chemical PropertiesClear, colorless, flammable, watery liquid with a mild aliphatic hydrocarbon odor resembling hexane.
Uses2,3,4-Trimethylpentane (2,3,4- tmp) is an isomeric compound of octane with an EC50 of 16.3 mM for 2,3,4- tmp.It can be used for its infrared spectroscopic studies and for biological activity studies such as the urinary metabolites of the potent nephrotoxic hydrocarbons 2,3,4- tmp in Fischer-344 male rats by gavage. Study. In addition, exposure of rat renal proximal tubules to 2,3,4-tmp resulted in structural changes that caused increased mitochondrial swelling, increased vesiculation, decreased microvilli and nuclear shrinkage[1-3].
DefinitionChEBI: 2,3,4-trimethylpentane is an alkane that is pentane substituted by a methyl group at positions 2,3 and 4. It is a constituent of gasoline. It has a role as a mammalian metabolite and a nephrotoxic agent. It is an alkane and a volatile organic compound.
General DescriptionKinetics and mechanism of reaction of OH radicals with 2,3,4-trimethylpentane in the presence of NO has been investigated. Kinetics of reactions of C6H5 radical with 2,3,4-trimethylpentane has been measured by cavity ringdown spectrometry.
SourceSchauer et al. (1999) reported 2,3,4-trimethylpentane in a diesel-powered medium-duty truck exhaust at an emission rate of 310 μg/km.
California Phase II reformulated gasoline contained 2,3,4-trimethylpentane at a concentration of 13.0 g/kg. Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 2.51 and 412 mg/km, respectively (Schauer et al., 2002).
Environmental fatePhotolytic. Atkinson (1990) reported a rate constant of 7.0 x 10-12 cm3/molecule?sec for the reaction of 2,3,4-trimethylpentane and OH radicals in the atmosphere at 298 K. Based on this reaction rate constant, the estimated lifetime is 20 h (Altshuller, 1991).
Chemical/Physical. Complete combustion in air produces carbon dioxide and water vapor.
2,3,4-Trimethylpentane will not hydrolyze because it does not contain a hydrolyzable functional group.
References[1] G.A. CROWDER; Lorelei G. Vibrational analysis of 2,3,4-trimethylpentane and 2,3,4-trimethylhexane[J]. Journal of Molecular Structure, 1984. DOI:10.1016/0022-2860(84)85188-1.
[2] CARL T. OLSON . The metabolism of 2,3,4-trimethylpentane in male fischer-344 rats[J]. Toxicology letters, 1987. DOI:10.1016/0378-4274(87)90132-9.
[3] N.J. DELRASO; C. S G; D R Mattie. Lack of detectable metabolism for solubilized 2,3,4-trimethylpentane by rat kidney proximal tubules[J]. Toxicology letters, 1990. DOI:10.1016/0378-4274(90)90201-V.
2,3,4-TRIMETHYLPENTANE Preparation Products And Raw materials
Raw materials2,3,4-TRIMETHYL-2-PENTENE-->ISOBUTANE-->2,3-Dimethylbutane-->Ethylene-->2-Butene
Preparation Products2,2,3-TRIMETHYLPENTANE-->2,3,3-TRIMETHYLPENTANE-->2,4-DIMETHYLPENTANE
Tag:2,3,4-TRIMETHYLPENTANE(565-75-3) Related Product Information
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