3,3-Dimethyl-1-butanol - CAS 624-95-3
Catalog: |
BB031620 |
Product Name: |
3,3-Dimethyl-1-butanol |
CAS: |
624-95-3 |
Synonyms: |
3,3-dimethylbutan-1-ol |
IUPAC Name: | 3,3-dimethylbutan-1-ol |
Description: | 3,3-Dimethyl-1-butanol (CAS# 624-95-3) is an organic building block used for the synthesis of various pharmaceutical compounds. It is an important intermediate in the synthesis of Neotame (N390060), an enhanced sweetening agent. |
Molecular Weight: | 102.17 |
Molecular Formula: | C6H14O |
Canonical SMILES: | CC(C)(C)CCO |
InChI: | InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3 |
InChI Key: | DUXCSEISVMREAX-UHFFFAOYSA-N |
Boiling Point: | 143 °C |
Density: | 0.844 g/cm3 |
Appearance: | Colorless liquid with an odor like alcohol |
MDL: | MFCD00002928 |
LogP: | 1.41490 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
29127031 | 20180901 | Sulfur mustard induced mast cell degranulation in mouse skin is inhibited by a novel anti-inflammatory and anticholinergic bifunctional prodrug | Toxicology letters |
19524075 | 20100101 | Incorporation of ionic ligands accelerates drug release from LDI-glycerol polyurethanes | Acta biomaterialia |
19639148 | 20090821 | Magnetic quantum tunneling: key insights from multi-dimensional high-field EPR | Physical chemistry chemical physics : PCCP |
18704397 | 20081101 | Recovery of choline oxidase activity by in vitro recombination of individual segments | Applied microbiology and biotechnology |
18284196 | 20080317 | Disorder and intermolecular interactions in a family of tetranuclear Ni(II) complexes probed by high-frequency electron paramagnetic resonance | Inorganic chemistry |
Complexity: | 42.6 |
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: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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