1,2-Hexanediol - CAS 6920-22-5
Catalog: |
BB033726 |
Product Name: |
1,2-Hexanediol |
CAS: |
6920-22-5 |
Synonyms: |
hexane-1,2-diol |
IUPAC Name: | hexane-1,2-diol |
Description: | 1,2-Hexanediol (CAS# 6920-22-5) is used in the synthesis of sulfamidates which lead a simple route into β-amino acids. Also used in the controlled growth of GE nanowires. |
Molecular Weight: | 118.17 |
Molecular Formula: | C6H14O2 |
Canonical SMILES: | CCCCC(CO)O |
InChI: | InChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3 |
InChI Key: | FHKSXSQHXQEMOK-UHFFFAOYSA-N |
Boiling Point: | 223-224 °C |
Density: | 0.951 g/cm3 |
Appearance: | Clear colorless to light yellow liquid |
MDL: | MFCD00010737 |
LogP: | 0.52980 |
GHS Hazard Statement: | H315 (36.47%): 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 |
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PMID | Publication Date | Title | Journal |
22883556 | 20120910 | Protein engineering of a thermostable polyol dehydrogenase | Enzyme and microbial technology |
21585401 | 20111001 | The influence of alkane chain length on the skin irritation potential of 1,2-alkanediols | International journal of cosmetic science |
21669264 | 20110830 | Synergistic effect of 1,4-cyclohexanediol and 1,2-hexanediol on percutaneous absorption and penetration of metronidazole | International journal of pharmaceutics |
21111167 | 20101215 | Modification of a micellar system for amino acid separation by MEKC--application for amino acid profiling in formulations for parenteral use | Talanta |
19778027 | 20091020 | Modification of galactitol dehydrogenase from Rhodobacter sphaeroides D for immobilization on polycrystalline gold surfaces | Langmuir : the ACS journal of surfaces and colloids |
Complexity: | 45.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.099379685 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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