1,2-Benzenedimethanol - CAS 612-14-6
Catalog: |
BB031003 |
Product Name: |
1,2-Benzenedimethanol |
CAS: |
612-14-6 |
Synonyms: |
[2-(hydroxymethyl)phenyl]methanol; [2-(hydroxymethyl)phenyl]methanol |
IUPAC Name: | [2-(hydroxymethyl)phenyl]methanol |
Description: | 1,2-Benzenedimethanol (CAS# 612-14-6) is a useful research chemical. |
Molecular Weight: | 138.16 |
Molecular Formula: | C8H10O2 |
Canonical SMILES: | C1=CC=C(C(=C1)CO)CO |
InChI: | InChI=1S/C8H10O2/c9-5-7-3-1-2-4-8(7)6-10/h1-4,9-10H,5-6H2 |
InChI Key: | XMUZQOKACOLCSS-UHFFFAOYSA-N |
Boiling Point: | 145 °C / 3 mmHg |
Melting Point: | 63-65 °C (lit.) |
Purity: | > 98.0 % (GC) |
Density: | 1.0742 (rou gh estimate) |
Appearance: | White to light yellow powder to crystal |
Storage: | Store below +30 °C. |
MDL: | MFCD00004626 |
LogP: | 0.67120 |
Refractive Index: | 1.5590 (estimate) |
GHS Hazard Statement: | H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
19200743 | 20090301 | Synthesis of nuclease-resistant siRNAs possessing universal overhangs | Bioorganic & medicinal chemistry |
16292529 | 20060801 | Characterization of four Rhodococcus alcohol dehydrogenase genes responsible for the oxidation of aromatic alcohols | Applied microbiology and biotechnology |
Complexity: | 81.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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