Home Other Building Blocks tert-Butyl acetate

tert-Butyl acetate

CAS No.:
540-88-5
Catalog Number:
AG00363K
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00363K
Chemical Name:
tert-Butyl acetate
CAS Number:
540-88-5
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
MDL Number:
MFCD00008807
IUPAC Name:
tert-butyl acetate
InChI:
InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3
InChI Key:
WMOVHXAZOJBABW-UHFFFAOYSA-N
SMILES:
CC(=O)OC(C)(C)C
EC Number:
208-760-7
UNII:
76N22HKP3X
NSC Number:
59719
RTECS Number:
AF7400000
UN Number:
1123
Properties
Complexity:
89.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Evaluation of the cross section of elongated micelles by static and dynamic light scattering. The journal of physical chemistry. B 20120412
Bell-shaped extraction device assisted liquid-liquid microextraction technique and its optimization using response-surface methodology. Journal of chromatography. A 20120323
Comparative analysis of tertiary alcohol esterase activity in bacterial strains isolated from enrichment cultures and from screening strain libraries. Applied microbiology and biotechnology 20110501
Nucleophilic addition to 2,3-disubstituted butanal derivatives and their application to natural product synthesis. Chemical & pharmaceutical bulletin 20101001
Iridium-catalyzed alpha-alkylation of acetates with primary alcohols and diols. Journal of the American Chemical Society 20100303
[H2O2 oxidation of 1,4-dihydropyridines over Mg2+ ion exchanged clinoptilolite and solventless solid state acid decomposition of ester to 3,5-pyridinedicarboxylic acid]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20091001
An efficient and scalable Ritter reaction for the synthesis of tert-butyl amides. The Journal of organic chemistry 20090306
Amphiphilic hyperbranched fluoropolymers as nanoscopic 19F magnetic resonance imaging agent assemblies. Biomacromolecules 20081001
Palladium-catalyzed alpha-arylation of esters with chloroarenes. Organic letters 20080417
Effects of tert-butyl acetate on maternal toxicity and embryo-fetal development in Sprague-Dawley rats. Birth defects research. Part B, Developmental and reproductive toxicology 20071001
Asymmetric synthesis of orthogonally protected trans-cyclopropane gamma-amino acids via intramolecular ring closure. Organic & biomolecular chemistry 20060821
Synthesis of 2H-1,2-benzothiazine 1,1-dioxides via heteroannulation reactions of 2-iodobenzenesulfonamide with ketone enolates under S(RN)1 conditions. The Journal of organic chemistry 20051111
Synthesis of jenamidines A1/A2. Organic letters 20050929
Interfacial reactions in confinement: kinetics and temperature dependence of the surface hydrolysis of polystyrene-block-poly(tert-butyl acrylate) thin films. Langmuir : the ACS journal of surfaces and colloids 20050315
The mutagenicity testing of tertiary-butyl alcohol, tertiary-butyl acetate and methyl tertiary-butyl ether in Salmonella typhimurium. Mutation research 20050103
Acute toxicity and cancer risk assessment values for tert-butyl acetate. Regulatory toxicology and pharmacology : RTP 20041001
Development of new synthetic methods with aryl 1-chlorovinyl sulfoxides. Chemical record (New York, N.Y.) 20040101
Palladium-catalyzed alpha-arylation of esters and amides under more neutral conditions. Journal of the American Chemical Society 20030917
Fluorogenic stereochemical probes for transaldolases. Chemistry (Weinheim an der Bergstrasse, Germany) 20030217
Efficient synthesis of alpha-aryl esters by room-temperature palladium-catalyzed coupling of aryl halides with ester enolates. Journal of the American Chemical Society 20021023
Polymorphic behavior of an NK1 receptor antagonist. International journal of pharmaceutics 20020828
Antimicrobial and bactericidal activities of esters of 2-endo-hydroxy-1,8-cineole as new aroma chemicals. Journal of agricultural and food chemistry 20020605
Tailoring fatty food simulants made from solvent mixtures (2): determining the equivalent migration behaviour of olive oil and of solvents in the case of polyolefins. Food additives and contaminants 20020601
Induction of CYP3A4 by 1 alpha,25-dihydroxyvitamin D3 is human cell line-specific and is unlikely to involve pregnane X receptor. Drug metabolism and disposition: the biological fate of chemicals 20011101
Properties