Dicinnamalacetone - CAS 622-21-9
Catalog: |
BB031461 |
Product Name: |
Dicinnamalacetone |
CAS: |
622-21-9 |
Synonyms: |
(1E,3E,6E,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one |
IUPAC Name: | (1E,3E,6E,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one |
Description: | Dicinnamalacetone (CAS# 622-21-9) is a useful research chemical. |
Molecular Weight: | 286.37 |
Molecular Formula: | C21H18O |
Canonical SMILES: | C1=CC=C(C=C1)C=CC=CC(=O)C=CC=CC2=CC=CC=C2 |
InChI: | InChI=1S/C21H18O/c22-21(17-9-7-15-19-11-3-1-4-12-19)18-10-8-16-20-13-5-2-6-14-20/h1-18H/b15-7+,16-8+,17-9+,18-10+ |
InChI Key: | RLJALOQFYHCJKG-FVRNMFRHSA-N |
Boiling Point: | 474.8 ℃ at 760 mmHg |
Density: | 1.075 g/cm3 |
MDL: | MFCD00004792 |
LogP: | 5.09470 |
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 |
Publication Number | Title | Priority Date |
US-10597595-B2 | Processing biomass | 20171027 |
US-2019233751-A1 | Processing biomass | 20171027 |
US-2021009911-A1 | Processing biomass | 20171027 |
EP-3655482-A1 | Polyamide blends | 20170720 |
US-2020207982-A1 | Polyamide blends | 20170720 |
PMID | Publication Date | Title | Journal |
19243951 | 20090315 | Exploration and synthesis of curcumin analogues with improved structural stability both in vitro and in vivo as cytotoxic agents | Bioorganic & medicinal chemistry |
17007965 | 20070101 | Study on the substituents' effects of a series of synthetic chalcones against the yeast Candida albicans | European journal of medicinal chemistry |
Complexity: | 387 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 4 |
Exact Mass: | 286.135765193 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.135765193 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.4 |
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