3,3-Dimethylbutyric acid - CAS 1070-83-3

Name: 3,3-Dimethylbutyric acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001967
Product Name:	3,3-Dimethylbutyric acid
CAS:	1070-83-3
Synonyms:	3,3-dimethylbutanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3,3-dimethylbutanoic acid
Description:	3,3-Dimethylbutyric acid (CAS# 1070-83-3) is used in the synthesis of imidazo[4,5-c]pyridine derivatives as anitmicrobial agents.
Molecular Weight:	116.16
Molecular Formula:	C6H12O2
Canonical SMILES:	CC(C)(C)CC(=O)O
InChI:	InChI=1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)
InChI Key:	MLMQPDHYNJCQAO-UHFFFAOYSA-N
Boiling Point:	185-190 °C
Density:	0.912 g/cm³
Appearance:	Yellow liquid
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00002715
LogP:	1.50720

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

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US-2021147714-A1	Polishing composition, polishing method, and method for manufacturing substrate	20191120

PMID	Publication Date	Title	Journal
20715837	20100922	Herbicidal activity of cineole derivatives	Journal of agricultural and food chemistry
15924289	20050805	The DMAP-catalyzed acetylation of alcohols--a mechanistic study (DMAP = 4-(dimethylamino)pyridine)	Chemistry (Weinheim an der Bergstrasse, Germany)
15250419	20040611	Application of polymethacrylate resin as stationary phase in liquid chromatography with UV detection for C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines	Journal of chromatography. A
15250420	20040611	Separation and conductimetric detection of C1-C7 aliphatic monocarboxylic acids and C1-C7 aliphatic monoamines on unfunctionized polymethacrylate resin columns	Journal of chromatography. A
14977870	20040301	Regulation of CYP2B6 in primary human hepatocytes by prototypical inducers	Drug metabolism and disposition: the biological fate of chemicals

Complexity:	89.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.083729621
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	116.083729621
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4