3-Ethoxy-1-propanol - CAS 111-35-3
Catalog: |
BB002753 |
Product Name: |
3-Ethoxy-1-propanol |
CAS: |
111-35-3 |
Synonyms: |
3-ethoxypropan-1-ol |
IUPAC Name: | 3-ethoxypropan-1-ol |
Description: | 3-Ethoxy-1-propanol (CAS# 111-35-3) is used in the synthesis of [1,2,4]triazolo[1,5-a]pyrimidines as anticancer agents. It is also used to prepare N-substituted [(carboxymethyl)phenoxy]ethyl benzoxazinones as PPARγ agonists and antidiabetic (type 2) agents. |
Molecular Weight: | 104.15 |
Molecular Formula: | C5H12O2 |
Canonical SMILES: | CCOCCCO |
InChI: | InChI=1S/C5H12O2/c1-2-7-5-3-4-6/h6H,2-5H2,1H3 |
InChI Key: | XHMWPVBQGARKQM-UHFFFAOYSA-N |
Boiling Point: | 160-161 °C |
Flash Point: | 130 °F |
Density: | 0.904 g/cm3 |
Solubility: | greater than or equal to 100 mg/mL at 64 °F |
Appearance: | 3-ethoxy-1-propanol appears as a clear colorless liquid, With a mild odor. Less dense than water. Contact may slightly irritate skin, Eyes and mucous membranes. |
MDL: | MFCD00002948 |
LogP: | 0.40530 |
Vapor Pressure: | 8.2 mmHg at 77 °F |
GHS Hazard Statement: | H226 (100%): 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+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21741655 | 20111021 | Identification of potent odourants in wine and brewed coffee using gas chromatography-olfactometry and comprehensive two-dimensional gas chromatography | Journal of chromatography. A |
21522081 | 20110426 | Study of the biological activity of novel synthetic compounds with antiviral properties against human rhinoviruses | Molecules (Basel, Switzerland) |
12449318 | 20020101 | Biodegradation of VOCs from printing press air by an on-site pilot plant bioscrubber and laboratory scale continuous yeast cultures | Biodegradation |
Complexity: | 29.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 104.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 104.083729621 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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