4-Octylbenzaldehyde - CAS 49763-66-8
Catalog: |
BB026821 |
Product Name: |
4-Octylbenzaldehyde |
CAS: |
49763-66-8 |
Synonyms: |
Benzaldehyde, 4-octyl-; 4-n-Octylbenzaldehyde; p-Octylbenzaldehyde |
IUPAC Name: | 4-octylbenzaldehyde |
Molecular Weight: | 218.33 |
Molecular Formula: | C15H22O |
Canonical SMILES: | CCCCCCCCC1=CC=C(C=C1)C=O |
InChI: | InChI=1S/C15H22O/c1-2-3-4-5-6-7-8-14-9-11-15(13-16)12-10-14/h9-13H,2-8H2,1H3 |
InChI Key: | IHKVZPVHTKOSLW-UHFFFAOYSA-N |
Boiling Point: | 131-132°C |
Melting Point: | -6°C |
Purity: | 95% |
Density: | 0.937±0.06 g/cm3 |
Appearance: | Clear yellow liquid |
LogP: | 4.40210 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021084896-A1 | Broad-spectrum synergistic antimicrobial compositions | 20190919 |
WO-2021055720-A1 | Broad-spectrum synergistic antimicrobial compositions | 20190919 |
WO-2021054459-A1 | Benzotriazole compound, light absorber, and resin composition | 20190918 |
KR-102204399-B1 | Cyclic block copolymers for deliverying nitrogen monoxide and method for preparing the same | 20190830 |
WO-2021041506-A1 | Rationally designed lawsone derivatives as antimicrobials against multidrug-resistant staphylococcus aureus | 20190826 |
PMID | Publication Date | Title | Journal |
15635240 | 20050101 | A convenient synthesis of immunosuppressive agent FTY720 using the petasis reaction | Chemical & pharmaceutical bulletin |
15008513 | 20031201 | Inhibitory effects on mushroom tyrosinase by some alkylbenzaldehydes | Journal of enzyme inhibition and medicinal chemistry |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.167065321 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.167065321 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.2 |
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