3-Hydroxybenzyl alcohol - CAS 620-24-6
Catalog: |
BB031389 |
Product Name: |
3-Hydroxybenzyl alcohol |
CAS: |
620-24-6 |
Synonyms: |
3-(hydroxymethyl)phenol |
IUPAC Name: | 3-(hydroxymethyl)phenol |
Description: | 3-Hydroxybenzyl alcohol (CAS# 620-24-6) is shown to have antioxidant and free radical scavenging activity. |
Molecular Weight: | 124.14 |
Molecular Formula: | C7H8O2 |
Canonical SMILES: | C1=CC(=CC(=C1)O)CO |
InChI: | InChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2 |
InChI Key: | OKVJCVWFVRATSG-UHFFFAOYSA-N |
Boiling Point: | 289.2 °C at 760 mmHg |
Melting Point: | 67-72 °C |
Purity: | 99 % |
Density: | 1.16 g/cm3 |
Appearance: | Off-white to tan crystalline powder. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00004643 |
LogP: | 0.88450 |
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, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22069602 | 20100401 | Biosynthesis and toxicological effects of patulin | Toxins |
19944085 | 20100212 | Structure-toxicity relationship of phenolic analogs as anti-melanoma agents: an enzyme directed prodrug approach | Chemico-biological interactions |
19428693 | 20090601 | Experimental stroke protection induced by 4-hydroxybenzyl alcohol is cancelled by bacitracin | Neuroscience research |
19383676 | 20090501 | Molecular cloning and functional characterization of two CYP619 cytochrome P450s involved in biosynthesis of patulin in Aspergillus clavatus | Microbiology (Reading, England) |
19053333 | 20090105 | Reactions of tertiary phosphines with alcohols in aqueous media | Inorganic chemistry |
Complexity: | 83 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.052429494 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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