4,5-epoxy-(E)-2-decenal - CAS 188590-62-7
Catalog:
BB053637
Product Name:
4,5-epoxy-(E)-2-decenal
CAS:
188590-62-7
Synonyms:
4,5-epoxy-2-decenal; epoxy-2-decenal; (2E)-3-(3-Pentyloxiran-2-yl)acrylaldehyde
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BB053637
25 g
$2390
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IUPAC Name: 3-(3-pentyloxiran-2-yl)prop-2-enal
Molecular Weight: 168.23
Molecular Formula: C10H16O2
Canonical SMILES: CCCCCC1C(O1)C=CC=O
InChI: InChI=1S/C10H16O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h5,7-10H,2-4,6H2,1H3
InChI Key: HIOMEXREAUSUBP-UHFFFAOYSA-N
Boiling Point: 273.3±15.0 °C (Predicted)
Purity: 90%
Density: 1.022±0.06 g/cm3 (Predicted)
Solubility: Soluble in water
Appearance: Clear liquid
GHS Hazard Statement: H315 (98.21%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (98.21%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement: P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
Signal Word: Warning
Complexity: 163
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 168.115029749
Formal Charge: 0
Heavy Atom Count: 12
Hydrogen Bond Acceptor Count: 2
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 168.115029749
Rotatable Bond Count: 6
Topological Polar Surface Area: 29.6
Undefined Atom Stereocenter Count: 2
Undefined Bond Stereocenter Count: 1
XLogP3: 2
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