2,2-Dimethyl-1-propanol - CAS 75-84-3

Catalog:	BB035415
Product Name:	2,2-Dimethyl-1-propanol
CAS:	75-84-3
Synonyms:	2,2-dimethylpropan-1-ol

Technical Data

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Computed Properties

IUPAC Name:	2,2-dimethylpropan-1-ol
Description:	2,2-Dimethyl-1-propanol (CAS# 75-84-3) is a useful research chemical.
Molecular Weight:	88.15
Molecular Formula:	C5H12O
Canonical SMILES:	CC(C)(C)CO
InChI:	InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3
InChI Key:	KPSSIOMAKSHJJG-UHFFFAOYSA-N
Boiling Point:	113-114 °C
Melting Point:	53 °C
Flash Point:	98 °F (37 °C) (CLOSED CUP)
Purity:	98 %
Density:	0.818 g/cm³
Solubility:	Miscible with alc, Ether; in water: about 3.5% at 25 °c
Appearance:	Colorless waxy crystalline solid
MDL:	MFCD00004682
LogP:	1.02480
Stability:	Volatile
Vapor Pressure:	16.0 [mmHg]

Publication Number	Title	Priority Date
CN-110467640-A	A kind of indoles or benzimidazole-isoquinolines condensed heterocyclic derivates preparation method	20190830
CN-110143956-A	Tacrine-pyrido thiophenes and preparation method thereof and purposes	20190610
CN-109651406-A	Hot activation delayed fluorescence compound, luminescent material and organic electroluminescence device	20190123
CN-109438297-A	Androgen receptor antagonists, preparation method and its application	20181203
CN-109593061-A	Androgen receptor antagonists, preparation method and its application	20181203

PMID	Publication Date	Title	Journal
23088334	20121105	Coordination chemistry of N,N,N',N'-tetrakis(3,5-substituted benzyl-2-oxide)-2,2'-(ethylenedioxy)diethanamine modified Group 4 metal alkoxides	Inorganic chemistry
22142382	20111205	Oral bioavailability of the ether lipid plasmalogen precursor, PPI-1011, in the rabbit: a new therapeutic strategy for Alzheimer's disease	Lipids in health and disease
22008564	20111018	In vitro and in vivo plasmalogen replacement evaluations in rhizomelic chrondrodysplasia punctata and Pelizaeus-Merzbacher disease using PPI-1011, an ether lipid plasmalogen precursor	Lipids in health and disease
21682894	20110617	Targeted metabolomic analyses of cellular models of pelizaeus-merzbacher disease reveal plasmalogen and myo-inositol solute carrier dysfunction	Lipids in health and disease
21413757	20110616	Structure and dynamics of water dangling OH bonds in hydrophobic hydration shells. Comparison of simulation and experiment	The journal of physical chemistry. A

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GHS Hazard Statement:	H226 (32.12%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P337+P313, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	33.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	88.088815002
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	88.088815002
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3