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 |
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] |
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 |
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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 |
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 |
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