4'-Cyclohexylacetophenone - CAS 18594-05-3
Catalog: |
BB014252 |
Product Name: |
4'-Cyclohexylacetophenone |
CAS: |
18594-05-3 |
Synonyms: |
1-(4-cyclohexylphenyl)ethanone |
IUPAC Name: | 1-(4-cyclohexylphenyl)ethanone |
Description: | 4'-Cyclohexylacetophenone (CAS# 18594-05-3) is a useful research chemical. |
Molecular Weight: | 202.29 |
Molecular Formula: | C14H18O |
Canonical SMILES: | CC(=O)C1=CC=C(C=C1)C2CCCCC2 |
InChI: | InChI=1S/C14H18O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3 |
InChI Key: | MSDQNIRGPBARGC-UHFFFAOYSA-N |
Boiling Point: | 179-181 °C14 mmHg (lit.) |
Melting Point: | 68-70 °C (lit.) |
Purity: | 95 % |
Density: | 1 g/cm3 |
Appearance: | White to yellow crystalline powder. |
MDL: | MFCD00001453 |
LogP: | 3.93690 |
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 |
WO-2020209118-A1 | Reversibly thermochromic aqueous ink composition for writing utensils, and refill and water-based ballpoint pen each internally containing same | 20190411 |
WO-2020203603-A1 | Reversible thermochromic composition, reversible thermochromic microcapsule pigment comprising same, and writing instrument using same | 20190329 |
WO-2020085358-A1 | Reversible thermochromic microcapsule pigment for ink and reversible thermochromic aqueous ink composition using same | 20181024 |
CN-110963935-A | 1-phenyl-2-aminoacetophenone derivative and medical application thereof | 20180930 |
EP-3556756-A1 | Substituted propanamides as inhibitors of nucleases | 20180417 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.135765193 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.135765193 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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