3-Methoxy-3-methyl-1-butanol - CAS 56539-66-3
Catalog: |
BB029394 |
Product Name: |
3-Methoxy-3-methyl-1-butanol |
CAS: |
56539-66-3 |
Synonyms: |
3-methoxy-3-methylbutan-1-ol |
IUPAC Name: | 3-methoxy-3-methylbutan-1-ol |
Description: | 3-Methoxy-3-methyl-1-butanol (CAS# 56539-66-3) is a useful research chemical. |
Molecular Weight: | 118.17 |
Molecular Formula: | C6H14O2 |
Canonical SMILES: | CC(C)(CCO)OC |
InChI: | InChI=1S/C6H14O2/c1-6(2,8-3)4-5-7/h7H,4-5H2,1-3H3 |
InChI Key: | MFKRHJVUCZRDTF-UHFFFAOYSA-N |
Boiling Point: | 164.2 °C at 760 mmHg |
Melting Point: | -50 °C |
Flash Point: | 51.6°C |
Purity: | 95 % |
Density: | 0.926 g/cm3 |
Solubility: | water, 1.346e+005 mg/L @ 25 °C (est) |
Appearance: | Clear colourless liquid |
MDL: | MFCD00044771 |
LogP: | 0.79380 |
Refractive Index: | 1.417 |
GHS Hazard Statement: | H319 (99.22%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21774519 | 20110815 | Kinetics and products of the reaction of OH radicals with 3-methoxy-3-methyl-1-butanol | Environmental science & technology |
Complexity: | 59.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.099379685 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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