4-(Hexyloxy)phenol - CAS 18979-55-0
Catalog: |
BB014670 |
Product Name: |
4-(Hexyloxy)phenol |
CAS: |
18979-55-0 |
Synonyms: |
4-hexoxyphenol |
IUPAC Name: | 4-hexoxyphenol |
Description: | 4-(Hexyloxy)phenol (CAS# 18979-55-0) is a useful research chemical. |
Molecular Weight: | 194.27 |
Molecular Formula: | C12H18O2 |
Canonical SMILES: | CCCCCCOC1=CC=C(C=C1)O |
InChI: | InChI=1S/C12H18O2/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9,13H,2-5,10H2,1H3 |
InChI Key: | XIIIHRLCKLSYNH-UHFFFAOYSA-N |
Boiling Point: | 112 °C / 3 mmHg |
Melting Point: | 44-47 °C |
Purity: | > 98.0 % (GC) |
Density: | 0.999 g/cm3 |
Appearance: | Slightly brown solid. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002337 |
LogP: | 3.35130 |
GHS Hazard Statement: | H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
16124947 | 20050818 | Structural toxicity relationship of 4-alkoxyphenols' cytotoxicity towards murine B16-F0 melanoma cell line | Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.130679813 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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