(2R,5R)-2,5-Hexanediol - CAS 17299-07-9
Catalog: |
BB050220 |
Product Name: |
(2R,5R)-2,5-Hexanediol |
CAS: |
17299-07-9 |
Synonyms: |
2,5-Hexanediol, (2R,5R)-; (2R,5R)-2,5-Dihydroxyhexane; (2R,5R)-hexanediol; 2,5-Hexanediol, (R,R)-; 2,5-Hexanediol, [R-(R*,R*)]-; (-)-2,5-Hexanediol; (2R,5R)-(-)-2,5-Hexanediol; (R,R)-2,5-Hexanediol |
Related CAS: | 129619-36-9 (Deleted CAS) 34338-96-0 ((2S,5S)-isomer)
|
IUPAC Name: | (2R,5R)-hexane-2,5-diol |
Description: | (2R,5R)-2,5-Hexanediol, a compound utilized in the manufacturing of pharmaceuticals and various biologically active substances, has garnered attention for its promising antimicrobial attributes. Ongoing research is exploring its efficacy in combatting infections induced by drug-resistant bacterial strains. |
Molecular Weight: | 118.17 |
Molecular Formula: | C6H14O2 |
Canonical SMILES: | CC(CCC(C)O)O |
InChI: | InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m1/s1 |
InChI Key: | OHMBHFSEKCCCBW-PHDIDXHHSA-N |
Boiling Point: | 213.4±8.0°C at 760 mmHg |
Melting Point: | 52-53°C |
Purity: | ≥95% |
Density: | 0.958±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | White to Yellow Crystalline Powder or Needles |
Storage: | Store at 2-8°C |
MDL: | MFCD00142339 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261 - P305+P351+P338 |
Signal Word: | Warning |
Complexity: | 46.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
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: | 3 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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