(2S,5S)-(+)-Hexanediol - CAS 34338-96-0
Catalog: |
BB050221 |
Product Name: |
(2S,5S)-(+)-Hexanediol |
CAS: |
34338-96-0 |
Synonyms: |
2,5-Hexanediol, (2S,5S)-; (2S,5S)-2,5-Hexanediol; (2S,5S)-2,5-Dihydroxyhexane; 2,5-Hexanediol, [S-(R*,R*)]-; L-threo-Hexitol, 1,3,4,6-tetradeoxy-; (+)-2,5-Hexanediol; (2S,5S)-(+)-2,5-Hexanediol; (2S,5S)-Hexanediol; (S,S)-2,5-Hexanediol |
Related CAS: | 17299-07-9 ((2R,5R)-isomer)
|
IUPAC Name: | (2S,5S)-hexane-2,5-diol |
Description: | Used in the synthesis of new phospholanes. A reagent used for asymmetric synthesis. |
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-/m0/s1 |
InChI Key: | OHMBHFSEKCCCBW-WDSKDSINSA-N |
Boiling Point: | 213.4±8.0°C at 760 mmHg |
Melting Point: | 52-53°C |
Flash Point: | 101 °C(215 °F) |
Purity: | ≥95% |
Density: | 0.958±0.06 g/cm3 |
Solubility: | Soluble in ethanol, methanol and water |
Appearance: | Colorless to light yellow liquid |
Storage: | Store at RT |
MDL: | MFCD00082583 |
GHS Hazard Statement: | H302 (97.73%): 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: | P264b - P271 - P280 - P302+P352 - P304+P340 - P305+P351+P338 - P312 - P332+P313 - P362 - P501c - X |
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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