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isooctane (so called)

solvents
2D:
3D:
CAS Number: 540-84-1
ECHA EC Number: 208-759-1
FDA UNII: QAB8F5669O
Category: solvents
IUPAC Name: isooctane (so called)
InChI : InChI=1/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
Std.InChI: InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
InChIKey : NHTMVDHEPJAVLT-UHFFFAOYAA
Std.InChIKey: NHTMVDHEPJAVLT-UHFFFAOYSA-N
SMILES : CC(C)CC(C)(C)C
MDL: MFCD00008943
Molar Refractivity : 39.03 ± 0.3 cm3 (est)
Parachor : 342.9 ± 4.0 cm3 (est)
Index of Refraction : 1.400 ± 0.02 (est)
Surface Tension : 20.5 ± 3.0 dyne/cm (est)
Density : 0.709 ± 0.06 g/cm3 (est)
Polarizability : 15.47 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

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Physical Properties:

Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.69200 @ 25.00 °C.
Boiling Point: 99.20 °C. @ 760.00 mm Hg
Vapor Pressure:45.207001 mmHg @ 25.00 °C. (est)
Flash Point: 18.00 °F. TCC ( -7.78 °C. )
logP (o/w): 4.373 (est)
Soluble in:
water, 2.44 mg/L @ 25 °C (exp)
water, 9.91 mg/L @ 25 °C (est)

Cosmetic Information:

Safety Information:

Preferred SDS: View
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
solvents
Recommendation for isooctane (so called) usage levels up to:
not for fragrance use.
Recommendation for isooctane (so called) flavor usage levels up to:
not for flavor use.

Safety References:

EPI System: View
EPA-Iris:IRIS
NIOSH International Chemical Safety Cards:search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):540-84-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10907
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2,2,4-trimethylpentane
Chemidplus:0000540841
EPA/NOAA CAMEO:hazardous materials
RTECS:540-84-1

References:

2,2,4-trimethylpentane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:540-84-1
Pubchem (cid):10907
Pubchem (sid):134975743
Pherobase:View

Other Information:

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
UM BBD:Search
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2901.29.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
Formulations/Preparations:
grades: pure; research; spectrophotometric.

Potential Blenders and core components :

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):

plum fruit
Search Trop Picture

Synonyms:

isobutyltrimethylmethane
isobutyltrimethylpentane
pentane, 2,2,4-trimethyl-
pentane, 2,4,4-trimethyl-
2,2,4-trimethyl pentane
2,2,4-trimethylpentane
2,4,4-trimethylpentane
2,2,4-trimethylpentene

Articles:

US Patents:4,162,256 - Process for the production of compounds useful in perfumery
PubMed:Density Functional Investigation of the Adsorption of Isooctane, Ethanol, and Acetic Acid on a Water-Covered Fe(100) Surface.
PubMed:Effects of van der Waals Interactions in the Adsorption of Isooctane and Ethanol on Fe(100) Surfaces.
PubMed:Cross sections for positron impact with 2,2,4-trimethylpentane.
PubMed:Biodegradation of alkylates under less agitated aquifer conditions.
PubMed:Pressure tuning of electron attachment to benzoquinones in nonpolar fluids: continuous adjustment of free energy changes.
PubMed:Dendrimer-templated Pd nanoparticles and Pd nanoparticles synthesized by reverse microemulsions as efficient nanocatalysts for the Heck reaction: A comparative study.
PubMed:Thermal deactivation kinetics of Pseudomonas fluorescens lipase entrapped in AOT/isooctane reverse micelles.
PubMed:Development of the simple and sensitive method for lipoxygenase assay in AOT/isooctane reversed micelles.
PubMed:Choline acetate enhanced the catalytic performance of Candida rogusa lipase in AOT reverse micelles.
PubMed:On the property of measurements with the PTW microLion chamber in continuous beams.
PubMed:Fast and precise method for Pb isotope ratio determination in complex matrices using GC-MC-ICPMS: application to crude oil, kerogen, and asphaltene samples.
PubMed:Application of ultrasound-assisted emulsification microextraction based on applying low-density organic solvent for the determination of organochlorine pesticides in water samples.
PubMed:Vortex-assisted liquid-liquid microextraction coupled with derivatization for the fluorometric determination of aliphatic amines.
PubMed:Enhanced productivity of electrospun polyvinyl alcohol nanofibrous mats using aqueous N,N-dimethylformamide solution and their application to lipase-immobilizing membrane-shaped catalysts.
PubMed:[Research on Raman spectra of isooctane at ambient temperature and ambient pressure to 1. 2 GPa].
PubMed:Identification and reconstitution of genetic regulatory networks for improved microbial tolerance to isooctane.
PubMed:A novel control of enzymatic enantioselectivity through the racemic temperature influenced by reaction media.
PubMed:Separation of lipid classes by HPLC on a cyanopropyl column.
PubMed:Fluorescence correlation spectroscopy: an efficient tool for measuring size, size-distribution and polydispersity of microemulsion droplets in solution.
PubMed:Assessment of two immobilized lipases activity and stability to low temperatures in organic solvents under ultrasound-assisted irradiation.
PubMed:Kinetics and mechanism of the cutinase-catalyzed transesterification of oils in AOT reversed micellar system.
PubMed:Determination of indoor air quality of a phytosanitary plant.
PubMed:Effect of fibrous filter properties on the oil-in-water-emulsion separation and filtration performance.
PubMed:Stability and comparative analysis of AOT/water/isooctane reverse micelle system using dynamic light scattering and molecular dynamics.
PubMed:Water dynamics in small reverse micelles in two solvents: two-dimensional infrared vibrational echoes with two-dimensional background subtraction.
PubMed:Lipase-catalyzed esterification of ferulic Acid with oleyl alcohol in ionic liquid/isooctane binary systems.
PubMed:Effects of pesticides monitored with three sampling methods in 24 sites on macroinvertebrates and microorganisms.
PubMed:Application of the two-dose-rate method for general recombination correction for liquid ionization chambers in continuous beams.
PubMed:Recombinant Candida rugosa lipase 2 from Pichia pastoris: immobilization and use as biocatalyst in a stereoselective reaction.
PubMed:Partitioning behavior of an acid-cleavable, 1,3-dioxolane alkyl ethoxylate, surfactant in single and binary surfactant mixtures for 2- and 3-phase microemulsion systems according to ethoxylate head group size.
PubMed:Catalytic performance and thermostability of chloroperoxidase in reverse micelle: achievement of a catalytically favorable enzyme conformation.
PubMed:On the composition fluctuations of reverse micelles.
PubMed:Analysis of the orientational order effect on n-alkanes: Evidences on experimental response functions and description using Monte Carlo molecular simulation.
PubMed:Extraction of monoclonal antibodies (IgG1) using anionic and anionic/nonionic reverse micelles.
PubMed:Acute inhalation of 2,2,4-trimethylpentane alters visual evoked potentials and signal detection behavior in rats.
PubMed:Effect of stirring on the safety of flammable liquid mixtures.
PubMed:Development of an inhalation physiologically based pharmacokinetic (PBPK) model for 2,2, 4-trimethylpentane (TMP) in male Long-Evans rats using gas uptake experiments.
PubMed:Degradation of a mixture of hydrocarbons, gasoline, and diesel oil additives by Rhodococcus aetherivorans and Rhodococcus wratislaviensis.
PubMed:alpha-lactalbumin-AOT charge interactions tune phase structures in isooctane/brine mixtures.
PubMed:Development of an enzyme activity screening system for beta-glucosidase-displaying yeasts using calcium alginate micro-beads and flow sorting.
PubMed:Concentration fluctuations in fluid mixtures. II.
PubMed:A mass spectrometry study of alkanes in air plasma at atmospheric pressure.
PubMed:Solvation of nitrophenol isomers: consequences for solute electronic structure and alkane/water partitioning.
PubMed:Diversity and similarity of microbial communities in petroleum crude oils produced in Asia.
PubMed:Pollutant emissions from gasoline combustion. 1. Dependence on fuel structural functionalities.
PubMed:Cryo-field emission scanning electron microscopy imaging of a rigid surfactant mesophase.
PubMed:Effect of alpha-lactalbumin on aerosol-OT phase structures in oil/water mixtures.
PubMed:Oxidative refolding of reduced, denatured lysozyme in AOT reverse micelles.
PubMed:Water dynamics--the effects of ions and nanoconfinement.
PubMed:Characterization of interaction between bergenin and human serum albumin in membrane mimetic environments.
PubMed:Proton-transfer mediated quenching of pyrene/indole charge-transfer states in isooctane solutions.
PubMed:Calibration and field application of a solvent-based cellulose membrane passive sampling device for the monitoring of polar herbicides.
PubMed:Influence of n-alkyl acids on the percolative phenomena in AOT-based microemulsions.
PubMed:Temperature-dependent solvation dynamics of water in sodium bis(2-ethylhexyl)sulfosuccinate/isooctane reverse micelles.
PubMed:Flash-point prediction for binary partially miscible mixtures of flammable solvents.
PubMed:Confinement or the nature of the interface? Dynamics of nanoscopic water.
PubMed:Preparation and characterization of platinum-ruthenium bimetallic nanoparticles using reverse microemulsions for fuel cell catalyst.
PubMed:DC corona electric discharges for air pollution control. Part 1. Efficiency and products of hydrocarbon processing.
PubMed:Reverse micellar extraction systems for the purification of pharmaceutical grade plasmid DNA.
PubMed:Improvement in extraction and catalytic activity of Mucor javanicus lipase by modification of AOT reverse micelle.
PubMed:Thermostability of Cromobacterium viscosum lipase in AOT/isooctane reverse micelle.
PubMed:Radical cations of branched alkanes as observed in irradiated solutions by the method of time-resolved magnetic field effect.
PubMed:Morphological and structural evolution of mesoporous silicas in a mild buffer solution and lysozyme adsorption.
PubMed:Monod kinetics for aerobic biodegradation of petroleum hydrocarbons in unsaturated soil microcosms.
PubMed:Development and validation of an analytical method for total amitraz in fruit and honey with quantification by gas chromatography-mass spectrometry.
PubMed:Biodegradability of alkylates as a sole carbon source in the presence of ethanol or BTEX.
PubMed:Synthetic activity enhancement of membrane-bound lipase from Rhizopus chinensis by pretreatment with isooctane.
PubMed:Study of the thermal diffusion behavior of alkane/benzene mixtures by thermal diffusion forced rayleigh scattering experiments and lattice model calculations.
PubMed:Features of absorption and fluorescence spectra of prodan.
PubMed:Switching electrical conductivity in an AOT-isooctane-water microemulsion through photodimerization of solubilized N-methyl-2-quinolone.
PubMed:In silico prediction of medium effects on esterification equilibrium using the COSMO-RS method.
PubMed:Observation of a one-dimensional adsorption site on carbon nanotubes: adsorption of alkanes of different molecular lengths.
PubMed:Physicochemical studies on cetylammonium bromide and its modified (mono-, di-, and trihydroxyethylated) head group analogues. Their micellization characteristics in water and thermodynamic and structural aspects of water-in-oil microemulsions formed with them along with n-hexanol and isooctane.
PubMed:Migration and sensory properties of plastics-based nets used as food-contacting materials under ambient and high temperature heating conditions.
PubMed:Analysis of ingested material and urine by GC-MS and 1H NMR spectroscopy: poisoning of an adult with adulterated soda.
PubMed:Display of a thermostable lipase on the surface of a solvent-resistant bacterium, Pseudomonas putida GM730, and its applications in whole-cell biocatalysis.
PubMed:Oxovanadates: a novel probe for studying lipid-water interfaces.
PubMed:Altering lipase activity and enantioselectivity in organic media using organo-soluble bases: Implication for rate-limiting proton transfer in acylation step.
PubMed:Determination of spiroxamine residues in grapes, must, and wine by gas chromatography/ion trap-mass spectrometry.
PubMed:Screening for candidate genes involved in tolerance to organic solvents in yeast.
PubMed:[Effect of chemical modification of lipase on the regulation of its lipolytic activity in reversed micelles].
PubMed:Separation and purification of chlorogenic acid by molecularly imprinted polymer monolithic stationary phase.
PubMed:Structure modifications of AOT reverse micelles due to protein incorporation.
PubMed:Effect of added alpha-lactalbumin protein on the phase behavior of AOT-brine-isooctane systems.
PubMed:Efficient enzymatic synthesis of amide with (aminomethyl)trimethylsilane.
PubMed:Dynamics of a membrane-bound tryptophan analog in environments of varying hydration: a fluorescence approach.
PubMed:Use of a self-assembling organogel as a reverse template in the preparation of imprinted porous polymer films.
PubMed:Transport of hydrocarbons from an emplaced fuel source experiment in the vadose zone at Airbase Vaerløse, Denmark.
PubMed:Ionizing power and nucleophilicity in water in oil AOT-based microemulsions.
PubMed:Enzymatic redox cofactor regeneration in organic media: functionalization and application of glycerol dehydrogenase and soluble transhydrogenase in reverse micelles.
PubMed:Catalytic activity of lignin peroxidase and partition of veratryl alcohol in AOT/isooctane/toluene/water reverse micelles.
PubMed:Influence of glymes upon percolative phenomena in AOT-based microemulsions.
PubMed:Summer and winter nonmethane hydrocarbon emissions from on-road motor vehicles in the Midwestern United States.
PubMed:Photoinduced amino-imino tautomerization reaction in 2-aminopyrimidine and its methyl derivatives with acetic acid.
PubMed:A novel method for the preparation of silver chloride nanoparticles starting from their solid powder using microemulsions.
PubMed:Spectroscopic characteristics of the micro-environmentally induced H-bond transformation in anil-type species: experimental and theoretical study.
PubMed:Effect of AOT on enzymatic activity of the organic solvent resistant tyrosinase from Streptomyces sp. REN-21 in aqueous solutions and water-in-oil microemulsions.
PubMed:Nanosecond dynamics of a mimicked membrane-water interface observed by time-resolved stokes shift of LAURDAN.
PubMed:Phase behavior of the lecithin/water/isooctane and lecithin/water/decane systems.
PubMed:The role of conformational flexibility of enzymes in the discrimination between amino acid and ester substrates for the subtilisin-catalyzed reaction in organic solvents.
PubMed:Products and mechanism of the reaction of OH radicals with 2,3,4-trimethylpentane in the presence of NO.
PubMed:Comparison of time-integrated pesticide concentrations determined from field-deployed passive samplers with daily river-water extractions.
PubMed:Structural evolution of a two-component organogel.
PubMed:Bounded water kinetic model of beta-galactosidase in reverse micelles.
PubMed:Degradation of isooctane by Mycobacterium austroafricanum IFP 2173: growth and catabolic pathway.
PubMed:Tetradecyltrimethylammonium bromide water-in-oil microemulsions: dependence of the minimum amount of alkanol required to produce a microemulsion with the alkanol and organic solvent topology.
PubMed:Free ion yield observed in liquid isooctane irradiated by gamma rays. Comparison with the Onsager theory.
PubMed:Hydrolysis of rice bran oil using an immobilized lipase from Candida rugosa in isooctane.
PubMed:Adsorption and conversion of various hydrocarbons on monolithic hydrocarbon adsorber.
PubMed:Enzymatic degradation of p-chlorophenol in a two-phase flow microchannel system.
PubMed:Adsorption isotherms of 2,2,4-trimethylpentane and toluene vapors on hydrocarbon adsorber and light-off catalyst.
PubMed:First tests of a liquid ionization chamber to monitor intensity modulated radiation beams.
PubMed:Liquid chromatographic method for the determination of plasma itraconazole and its hydroxy metabolite in pharmacokinetic/bioavailability studies.
PubMed:Alternative fatty food simulants and diffusion kinetics of nylon 12 food packaging.
PubMed:Stereospecific high-performance liquid chromatographic analysis of ibuprofen in rat serum.
PubMed:Study of the factors affecting the forward and back extraction of yeast-lipase and its activity by reverse micelles.
PubMed:Highly activated, silicone entrapped, lipase.
PubMed:Stereospecific high-performance liquid chromatographic analysis of flurbiprofen: application to pharmacokinetic studies.
PubMed:Preparation of gelatin microbeads with a narrow size distribution using microchannel emulsification.
PubMed:Determination of plasma testosterone using a simple liquid chromatographic method.
PubMed:Evaluation of rapid dose map acquisition of a scanning liquid-filled ionization chamber electronic portal imaging device.
PubMed:Determination of dithiocarbamate pesticides in occupational hygiene sampling devices using the isooctane method and comparison with an automatic thermal desorption (ATD) method.
PubMed:Cometabolic biodegradation of methyl tert-butyl ether by a soil consortium: Effect of components present in gasoline.
PubMed:Water-in-oil macroemulsions sustain long-term viability of microbial cells in organic solvents.
PubMed:Trimethylpentane-containing passive samplers for predicting time-integrated concentrations of pesticides in water: laboratory and field studies.
PubMed:Enzyme-carrying polymeric nanofibers prepared via electrospinning for use as unique biocatalysts.
PubMed:Thermal denaturation of Bungarus fasciatus acetylcholinesterase: Is aggregation a driving force in protein unfolding?
PubMed:Determination of the acid dissociation constant of bromocresol green and cresol red in water/AOT/isooctane reverse micelles by multiple linear regression and extended principal component analysis.
PubMed:Integration of reactive membrane extraction with lipase-hydrolysis dynamic kinetic resolution of naproxen 2,2,2-trifluoroethyl thioester in isooctane.
PubMed:Studies on the catalytic behaviour of a cholinesterase-like abzyme in an AOT microemulsion system.
PubMed:Characterization of patatin esterase activity in AOT-isooctane reverse micelles.
PubMed:Circular dichroic properties and average dimensions of DNA-containing reverse micellar aggregates.
PubMed:Simple method for the selection of the appropriate food simulant for the evaluation of a specific food/packaging interaction.
PubMed:Products and mechanism of the reaction of OH radicals with 2,2,4-trimethylpentane in the presence of NO.
PubMed:Time-dependent solubilization of IgG in AOT-brine-isooctane microemulsions: role of cluster formation.
PubMed:Microstructure determination of AOT + phenol organogels utilizing small-angle X-ray scattering and atomic force microscopy.
PubMed:C1-C5 organic acid emissions from an SI engine: influence of fuel and air/fuel equivalence ratio.
PubMed:Preparation of an organic solvent-tolerant strain from baker's yeast.
PubMed:A new sample preparation technique for organochlorines in cod liver oil combining SPE and NP-HPLC with HRGC-ECD.
PubMed:Distribution in the environment of degradative capacities for gasoline attenuation.
PubMed:Effect of CO(2) and CHF(3) on the Solubilization of Protein in Reverse Micelles.
PubMed:Fluorescence dynamics of green fluorescent protein in AOT reversed micelles.
PubMed:"Snap-shooting" the interface of AOT reverse micelles: use of chemical trapping
PubMed:Conformational transition and mass transfer in extraction of proteins by AOT--alcohol--isooctane reverse micellar systems.
PubMed:A Mycobacterium strain with extended capacities for degradation of gasoline hydrocarbons.
PubMed:Selection of microbial populations degrading recalcitrant hydrocarbons of gasoline by monitoring of culture-headspace composition.
PubMed:Comparison of an enzyme-linked immunosorbent assay (ELISA) to gas chromatography (GC)--measurement of polychlorinated biphenyls (PCBs) in selected US fish extracts.
PubMed:Biotransformation and male rat-specific renal toxicity of diethyl ethyl- and dimethyl methylphosphonate.
PubMed:Structural requirements of para-alkylphenols to bind to estrogen receptor.
PubMed:An approach to area sampling and analysis for total isocyanates in workplace air.
PubMed:Comparison of isopropanol and isooctane as food simulants in plasticizer migration tests.
PubMed:Intrinsic capacities of soil microflorae for gasoline degradation.
PubMed:Sucrose enhances the recovery and activity of ribonuclease A during reversed micelle extraction.
PubMed:Direct lysosomal uptake of alpha 2-microglobulin contributes to chemically induced nephropathy.
PubMed:Lipase-catalyzed syntheses of monoglycerides by hydrolysis of soybe
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