ISOBUTANE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C4H10
Molecular Weight	58.1222
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C

InChI

InChIKey=NNPPMTNAJDCUHE-UHFFFAOYSA-N

InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C4H10
Molecular Weight	58.1222
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/20055182

Isobutane was used as a propellant for aerosol cans and foam products. It was studied as a potential substitute candidate for screen non-chlorofluorocarbon (CFC) metered dose inhaler (MDI) propellant.

Approval Year

PubMed

Title	Date	PubMed
Receptorphin: a conserved peptide derived from the sequence of the opioid receptor, with opioid displacement activity and potent antiproliferative actions in tumor cells.	2001	11737867
Pyrazolopyrimidines: synthesis, effect on histamine release from rat peritoneal mast cells and cytotoxic activity.	2001 Apr	11461757
The molecular and crystal structure of tert-butyl Nalpha-tert-butoxycarbonyl-L-(S-trityl)cysteinate and the conformation-stabilizing function of weak intermolecular bonding.	2001 Apr	11310668
19F NMR chemical shifts. 1. Aliphatic fluorides.	2001 Apr 20	11304205
Mutagenicity in Salmonella typhimurium TA98 and TA100 of nitroso and respective hydroxylamine compounds.	2001 Apr 5	11287311
A novel and simplified route to the synthesis of N3S chelators for 99mTc labeling.	2001 Aug	11518652
N-tert-Butyl-N'-(5,7-dimethyl-1,8-naphthyridin-2-yl)urea.	2001 Aug	11498637
Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes.	2001 Aug	11498633
Synthesis of (13)C/D doubly labeled L-leucines: probes for conformational analysis of the leucine side-chain.	2001 Aug 24	11511273
A two-step enzymatic resolution process for large-scale production of (S)- and (R)-ethyl-3-hydroxybutyrate.	2001 Aug 5	11400099
Anti-influenza virus activities of 2-alkoxyimino-n-(2-isoxazolin-3-ylmethyl)acetamides.	2001 Aug 6	11454466
Isolation of some glycosides as aroma precursors in young leaves of Japanese pepper (Xanthoxylum piperitum DC.).	2001 Dec	11743780
Alkynylcyclohexanol chairs and twist-boats: Co(2)(CO)(6) as a conformational switch.	2001 Dec 14	11735541
Sedanolide, a natural phthalide from celery seed oil: effect on hydrogen peroxide and tert-butyl hydroperoxide-induced toxicity in HepG2 and CaCo-2 human cell lines.	2001 Fall	11846995
Modulatory effect of cyclosporin A on tert-butyl hydroperoxide-induced oxidative damage in hepatocytes.	2001 Feb	11322648
Titanium tert-butyl- and trimethylsilyl-imido complexes with monopendant arm triazacyclononane ligands.	2001 Feb 12	11225131
Stereodynamics of N-isopropyl-N-methylpropargylamine. Dynamic NMR studies. Molecular mechanics calculations.	2001 Feb 9	11430111
Mutation of cysteine-295 to alanine in secondary alcohol dehydrogenase from Thermoanaerobacter ethanolicus affects the enantioselectivity and substrate specificity of ketone reductions.	2001 Jul	11425565
Stereocontrolled formation of epoxy peroxide functionality appended to a lactam ring.	2001 Jul 13	11442402
Chiral diphosphites derived from D-glucose: new ligands for the asymmetric catalytic hydroformylation of vinyl arenes.	2001 Jul 16	11495436
Ventricular fibrillation following inhalation of Glade Air Freshener.	2001 Jun	11436914
Sterically hindered cisplatin derivatives with multiple carboxylate auxiliary arms: synthesis and reactions with guanosine-5'-monophosphate and plasmid DNA.	2001 Jun	11410243
A triangle-square equilibrium of metallosupramolecular assemblies based on pd(II) and pt(II) corners and diazadibenzoperylene bridging ligands.	2001 Jun 13	11389622
A convenient route to higher sugars by two-carbon chain elongation using Wittig/dihydroxylation reactions.	2001 Jun 29	11421783
Kinetic resolution of acyclic secondary allylic silyl ethers catalyzed by chiral ketones.	2001 Jun 29	11421782
Alkyl ester prodrugs for improved topical delivery of ibuprofen.	2001 Mar	11495290
Tris(tert-butyl)phosphine selenide, the missing link in tris(tert-butyl)phosphine chalcogenide structures (t)Bu(3)P==X (X = O, S, Se, Te).	2001 Mar	11250595
Mesoporous aluminosilicates with ordered hexagonal structure, strong acidity, and extraordinary hydrothermal stability at high temperatures.	2001 May 30	11457329
Combined hydroxypropyl-beta-cyclodextrin and poly(alkylcyanoacrylate) nanoparticles intended for oral administration of saquinavir.	2001 May 7	11337155
Acid-catalyzed isomerization of pivalaldehyde to methyl isopropyl ketone via a reactive protosolvated carboxonium ion intermediate.	2001 Nov 28	11716708
Synthesis of an extremely crowded naphthalene via a stable norbornadienone.	2001 Nov 7	11686695
1,2-Benzothiazine 1,1-dioxide P(2)-P(3) peptide mimetic aldehyde calpain I inhibitors.	2001 Oct 11	11585453
Acyclic and cyclopropyl analogues of adenosine bisphosphate antagonists of the P2Y1 receptor: structure-activity relationships and receptor docking.	2001 Sep 13	11543678
tert-Butyl hydroperoxide-induced lipid signaling in hepatocytes: involvement of glutathione and free radicals.	2001 Sep 15	11551515
Regioselective metabolism of taxoids by human CYP3A4 and 2C8: structure-activity relationship.	2002 Apr	11901098
Quantitative structure-activity studies of insect growth regulators: XIX. Effects of substituents on the aromatic moiety of dibenzoylhydrazines on larvicidal activity against the beet armyworm Spodoptera exigua.	2002 Feb	11852637
Sensitive markers used to identify compounds that trigger apoptosis in cultured hepatocytes.	2002 Feb	11812934
Palladium(0)-catalyzed enantioselective O,S-rearrangement of racemic O-allylic thiocarbamates: a new entry to enantioenriched allylic sulfur compounds.	2002 Feb 22	11846656
Odorants of different chemical classes interact with distinct odorant binding protein subtypes.	2002 Jan	11751466
Ipso-substitution by cytochrome P450 with conversion of p-hydroxybenzene derivatives to hydroquinone: evidence for hydroperoxo-iron as the active oxygen species.	2002 Jan 1	11747318
Tryparedoxin peroxidase of Leishmania donovani: molecular cloning, heterologous expression, specificity, and catalytic mechanism.	2002 Jan 15	11795890
Rate acceleration of the Baylis-Hillman reaction in polar solvents (water and formamide). Dominant role of hydrogen bonding, not hydrophobic effects, is implicated.	2002 Jan 25	11798324
Comparative efficiencies of isopropyl and tert-butyl alcohols for extracting zeins from maize endosperm.	2002 Jul 3	12083896
Conversion of tricoordinate to hexacoordinate phosphorus. Formation of a phosphorane-phosphatrane system.	2002 Jun 19	12059227
Unique dual fluorescence of sterically congested hexaalkyl benzenehexacarboxylates: mechanism and application to viscosity probing.	2002 Jun 19	12059217
Antifungal agents. 10. New derivatives of 1-[(aryl)[4-aryl-1H-pyrrol-3-yl]methyl]-1H-imidazole, synthesis, anti-candida activity, and quantitative structure-analysis relationship studies.	2002 Jun 20	12061875
Synthesis of novel quaternary amino acids using molybdenum-catalyzed asymmetric allylic alkylation.	2002 Jun 26	12071719
Antioxidant properties of silybin glycosides.	2002 Mar	11933137
Formation of a 1-bicyclo[1.1.1]pentyl anion and an experimental determination of the acidity and C-H bond dissociation energy of 3-tert-butylbicyclo[1.1.1]pentane.	2002 Mar 20	11890831
Behavior and characteristics of amine derivatives obtained with o-phthaldialdehyde/3-mercaptopropionic acid and with o-phthaldialdehyde/N-acetyl-L-cysteine reagents.	2002 Mar 8	11999740

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:02:35 GMT 2023` Edited by `admin` on `Fri Dec 15 15:02:35 GMT 2023`
Record UNII	BXR49TP611
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOBUTANE

Official Name

English

R 600A

Code

English

ISOBUTANE [FCC]

Common Name

English

ISOBUTANE [INCI]

Common Name

English

ISOBUTANE [VANDF]

Common Name

English

Isobutane [WHO-DD]

Common Name

English

ISOBUTANE [II]

Common Name

English

TRIMETHYLMETHANE

Systematic Name

English

ISOBUTANE [MART.]

Common Name

English

ISOBUTANE [HSDB]

Common Name

English

1,1-DIMETHYLETHANE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C552