1,4-Benzenedimethanol - CAS 589-29-7
Catalog: |
BB030209 |
Product Name: |
1,4-Benzenedimethanol |
CAS: |
589-29-7 |
Synonyms: |
[4-(hydroxymethyl)phenyl]methanol |
IUPAC Name: | [4-(hydroxymethyl)phenyl]methanol |
Description: | 1,4-Benzenedimethanol (CAS# 589-29-7) is a compound useful in organic synthesis. |
Molecular Weight: | 138.16 |
Molecular Formula: | C8H10O2 |
Canonical SMILES: | C1=CC(=CC=C1CO)CO |
InChI: | InChI=1S/C8H10O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2 |
InChI Key: | BWVAOONFBYYRHY-UHFFFAOYSA-N |
Boiling Point: | 138-143 °C (1 mmHg) |
Melting Point: | 116-119 °C |
Flash Point: | 138-143°C/1mm |
Purity: | 95 % |
Density: | 1.0742 (rou gh estimate) |
Appearance: | White to off-white crystalline powder. |
Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00004665 |
LogP: | 0.67120 |
Refractive Index: | 1.5090 (estimate) |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22606162 | 20120401 | 1,4-Phenyl-enebis(methyl-ene) dicarbamate | Acta crystallographica. Section E, Structure reports online |
19749243 | 20090101 | Synthesis and properties of oligodeoxynucleotides containing biaryl units | Nucleic acids symposium series (2004) |
18257527 | 20080301 | Acrylate end-capped poly(ester-carbonate) and poly(ether-ester)s for polymer-on-multielectrode array devices: synthesis, photocuring, and biocompatibility | Biomacromolecules |
17266358 | 20070222 | Chemoselective nucleophilic fluorination induced by selective solvation of the SN2 transition state | The journal of physical chemistry. B |
16292529 | 20060801 | Characterization of four Rhodococcus alcohol dehydrogenase genes responsible for the oxidation of aromatic alcohols | Applied microbiology and biotechnology |
Complexity: | 73.3 |
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: | 0.3 |
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