2,3-Dimethyl-2-butanol - CAS 594-60-5

Catalog:	BB030390
Product Name:	2,3-Dimethyl-2-butanol
CAS:	594-60-5
Synonyms:	2,3-dimethylbutan-2-ol

Technical Data

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Computed Properties

IUPAC Name:	2,3-dimethylbutan-2-ol
Description:	2,3-Dimethyl-2-butanol (CAS# 594-60-5) is a useful research chemical compound.
Molecular Weight:	102.17
Molecular Formula:	C6H14O
Canonical SMILES:	CC(C)C(C)(C)O
InChI:	InChI=1S/C6H14O/c1-5(2)6(3,4)7/h5,7H,1-4H3
InChI Key:	IKECULIHBUCAKR-UHFFFAOYSA-N
Boiling Point:	120-121 °C (lit.)
Density:	0.82 g/cm³
MDL:	MFCD00004463
LogP:	1.41330

Publication Number	Title	Priority Date
CN-113024374-A	Kit and method for simultaneously extracting organic acid and amino acid	20210312
CN-113030326-A	Derivatization kit and method for separating citric acid and isocitric acid	20210312
CN-112940812-A	Oxygen-containing type high-cetane number secondary standard fuel	20210309
CN-112940813-A	Oxygen-containing type secondary standard fuel with low cetane number	20210309
CN-112768169-A	Preform, method for producing the same, method for producing corrosion-resistant magnet, and use of the same	20201230

PMID	Publication Date	Title	Journal
23030849	20121025	Kinetic study of the gas phase reactions of a series of alcohols with the NO3 radical	The journal of physical chemistry. A
22984913	20121011	Aging mechanism of soman inhibited acetylcholinesterase	The journal of physical chemistry. B
17325767	20070314	Relative and absolute kinetic studies of 2-butanol and related alcohols with tropospheric Cl atoms	Physical chemistry chemical physics : PCCP
16331934	20051208	Atmospheric degradation of 2-butanol, 2-methyl-2-butanol, and 2,3-dimethyl-2-butanol: OH kinetics and UV absorption cross sections	The journal of physical chemistry. A
15234358	20040701	Photoionization of 2,3-dimethyl-2-butanol (thexyl alcohol): interaction between the charged and expelled fragments	Journal of the American Society for Mass Spectrometry

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GHS Hazard Statement:	H225 (69.29%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	55.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	102.104465066
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	102.104465066
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5