tert-Butyl alcohol

Details

Stereochemistry	ACHIRAL
Molecular Formula	C4H10O
Molecular Weight	74.1216
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(C)O

InChI

InChIKey=DKGAVHZHDRPRBM-UHFFFAOYSA-N

InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C4H10O
Molecular Weight	74.1216
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/30590081 | https://www.ncbi.nlm.nih.gov/pubmed/20722584

Tert-Butyl alcohol (TBA), also called tert-butanol, an important intermediate in industrial chemical synthesis, is poorly absorbed through skin, but is rapidly absorbed upon inhalation or ingestion and distributed to tissues throughout the body. There is no much information related to the toxicity and pharmacological properties of tert-butanol in humans and animals. However, the recently published article has shown that TBA-associated non-neoplastic and neoplastic histopathological changes in the rat's kidney could be explained by alpha2u-globulin nephropathy (α2u-gN) or enhanced chronic progressive nephropathy (CPN), neither of which are relevant to humans.

Approval Year

PubMed

Title	Date	PubMed
Synthesis and catalytic application of octahedral lewis base adducts of dichloro and dialkyl dioxotungsten(VI).	2002-08-26	12184764
Dimethylformamide as a carbon monoxide source in fast palladium-catalyzed aminocarbonylations of aryl bromides.	2002-08-23	12182668
Synthesis, characterization, and reactivity of monomeric, arylpalladium halide complexes with a hindered phosphine as the only dative ligand.	2002-08-14	12167009
Hydrogenation without a transition-metal catalyst: on the mechanism of the base-catalyzed hydrogenation of ketones.	2002-07-24	12121113
Comparative efficiencies of isopropyl and tert-butyl alcohols for extracting zeins from maize endosperm.	2002-07-03	12083896
Phospholipases D1 and D2 regulate different phases of exocytosis in mast cells.	2002-06-01	12023367
[Pyridazino(3,4-c)quinolines and pyridazino(4,5-c)quinolines--synthesis and investigation of lipoxygenase inhibition].	2002-06	12116871
Octahedral bipyridine and bipyrimidine dioxomolybdenum(VI) complexes: characterization, application in catalytic epoxidation, and density functional mechanistic study.	2002-05-17	12012420
Rearrangement pathways of 2-hydroxy-2-methylpropylidene: an experimental and computational study.	2002-05-17	12003533
Molecular imprinting of enzymes with water-insoluble ligands for nonaqueous biocatalysis.	2002-05-15	11996551
Simultaneous determination of fuel oxygenates and BTEX using direct aqueous injection gas chromatography mass spectrometry (DAI-GC/MS).	2002-05-01	12026992
Base-catalyzed derivatization methodology for FA analysis. application to milk fat and celery seed lipid TAG.	2002-05	12056597
Selective permeation and organic extraction of recombinant green fluorescent protein (gfpuv) from Escherichia coli.	2002-04-24	11972900
SmI(2)-mediated cyclizations of derivatized beta-lactams for the highly diastereoselective construction of functionalized prolines.	2002-04-19	11950281
Synthesis and structural comparison of triaryl(sulfonylimino)pnictoranes.	2002-04-08	11925191
Synthesis and resolution of (R,R)-(+/-)-1,1,4,7,10,10-hexaphenyl-1,10-diarsa-4,7-diphosphadecane: new ligand for the stereoselective self-assembly of dicopper(I), disilver(I), and digold(I) helicates.	2002-04-08	11925186
Catalytic, asymmetric trans-selective hetero Diels-Alder reactions using a chiral zirconium complex.	2002-04-04	11922823
Decomposition of hydrogen peroxide and organic compounds in the presence of dissolved iron and ferrihydrite.	2002-04-01	11999052
Homogeneous degradation of 1,2,9,10-tetrachlorodecane in aqueous solutions using hydrogen peroxide, iron and UV light.	2002-04	11996156
Freeze-drying of tert-butanol/water cosolvent systems: a case report on formation of a friable freeze-dried powder of tobramycin sulfate.	2002-04	11948553
Polymorphs and pseudopolymorphs of N,N'-dithiobisphthalimide.	2002-04	11910166
Influence of oxygenated fuel additives and their metabolites on the binding of a convulsant ligand of the gamma-aminobutyric acid(A) (GABA(A)) receptor in rat brain membrane preparations.	2002-03-28	11888705
Tunneling and sterically induced ring puckering in a substituted [8]annulene anion radical.	2002-03-20	11890821
Further characterization of the interaction between the cytoskeletal proteins talin and vinculin.	2002-03-15	11879206
Practical aspects of lyophilization using non-aqueous co-solvent systems.	2002-03	11849908
On the pro-oxidant effects of haemozoin.	2002-02-13	11852068
Cryogenic grinding of indomethacin polymorphs and solvates: assessment of amorphous phase formation and amorphous phase physical stability.	2002-02	11835208
Base promoted air oxidation of 13beta-ethyl-11-methylenegon-4-en-17-one.	2002-02	11755175
Kinetics and products of reactions of MTBE with ozone and ozone/hydrogen peroxide in water.	2002-01-28	11744205
Photoinduced electron-transfer substitution reactions via unusual charge-transfer intermediates.	2002-01-25	11798315
2'-Deoxyguanosine (DG) oxidation and strand-break formation in DNA by the radicals released in the photolysis of N-tert-butoxy-2-pyridone. Are tert-butoxyl or methyl radicals responsible for the photooxidative damage in aqueous media?	2002-01-24	11796056
Structural requirements of alkanol interaction sites on human alpha 2 beta 4 neuronal nicotinic acetylcholine receptors expressed in Xenopus oocytes: effects of linear and branched-chain alkanols.	2002-01	11821649
Group 4 dimethylmetallocenes: improved synthesis and reactivity studies.	2001-12-17	11735467
Effect of redox conditions on MTBE biodegradation in surface water sediments.	2001-12-01	11770765
Development of a stereoselective practical synthetic route to indolmycin, a candidate anti-H. pylori agent.	2001-12	11767081
Antioxidants and total peroxyl radical-trapping ability of olive and seed oils.	2001-12	11743803
Novel synthesis of 4,5-diarylphenanthrenes via C2-C6 cyclization of benzannulated enyne-allenes.	2001-11-16	11701039
Copper(I) tert-butoxide-promoted 1,4 C(sp(2))-to-O silyl migration: stereospecific allylation of (Z)-gamma-trimethylsilyl allylic alcohols.	2001-11-15	11700145
Fluorinated analogues of tert-butyl alcohol as novel protecting groups for use in fluorous synthesis.	2001-11-15	11700119
MTBE oxidation by conventional ozonation and the combination ozone/hydrogen peroxide: efficiency of the processes and bromate formation.	2001-11-01	11718338
A new entry to oxacycles via base-catalyzed endo mode cyclization of allenyl sulfoxides and sulfones.	2001-10-18	11594840
Investigation of human hair fibers using lateral force microscopy.	2001-10-06	11587327
Hydrolysis of tert-butyl methyl ether (MTBE) in dilute aqueous acid.	2001-10-01	11642459
Use of pure t-butanol as a solvent for freeze-drying: a case study.	2001-09-11	11532568
A DNA oligonucleotide-hemin complex cleaves t-butyl hydroperoxide through a homolytic mechanism.	2001-09-10	11531452
Oxygen capture by lithiated organozinc reagents containing aromatic 2-pyridylamide ligands.	2001-09-03	11575770
Unexpected reactivity of acetylenic omega-ketoesters toward TBAF and t-BuOK; new cascade reactions affording allene and oxetane derivatives.	2001-08-23	11506610
Microbial degradation and fate in the environment of methyl tert-butyl ether and related fuel oxygenates.	2001-08	11549000
Cosolvent effects of alcohols on the Henry's law constant and aqueous solubility of tetrachloroethylene (PCE).	2001-08	11513401
Methods to improve the preservation of peritoneal tissues.	2001	11510299

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:36:27 GMT 2025` Edited by `admin` on `Mon Mar 31 17:36:27 GMT 2025`
Record UNII	MD83SFE959
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

tert-Butyl alcohol

Systematic Name

English

t-Butyl alcohol

Preferred Name

English

2-Methyl-2-propanol

Systematic Name

English

t-Butyl alcohol [HSDB]

Common Name

English

Butyl alcohol, tert-

Systematic Name

English

Trimethyl carbinol

Systematic Name

English

Tertiary butanol

Common Name

English

tert-Butyl alcohol [MI]

Common Name

English

tert-Butanol

Systematic Name

English

tert-Butyl alcohol [II]

Common Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

1505