4-Butoxybenzaldehyde - CAS 5736-88-9
Catalog: |
BB029669 |
Product Name: |
4-Butoxybenzaldehyde |
CAS: |
5736-88-9 |
Synonyms: |
4-butoxybenzaldehyde |
IUPAC Name: | 4-butoxybenzaldehyde |
Description: | 4-Butoxybenzaldehyde (CAS# 5736-88-9) is a useful research chemical. |
Molecular Weight: | 178.23 |
Molecular Formula: | C11H14O2 |
Canonical SMILES: | CCCCOC1=CC=C(C=C1)C=O |
InChI: | InChI=1S/C11H14O2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7,9H,2-3,8H2,1H3 |
InChI Key: | XHWMNHADTZZHGI-UHFFFAOYSA-N |
Boiling Point: | 285 ℃ (lit.) |
Density: | 1.031 g/mL at 25℃(lit.) |
Appearance: | Colorless liquid |
MDL: | MFCD00003389 |
LogP: | 2.67800 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22199848 | 20111201 | [8-(4-But-oxy-benzo-yl)-2,7-dimeth-oxy-naphthalen-1-yl](4-but-oxy-phen-yl)methanone | Acta crystallographica. Section E, Structure reports online |
21522389 | 20110216 | 2,4-Bis(4-but-oxy-phen-yl)-3-aza-bicyclo-[3.3.1]nonan-9-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.099379685 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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