(S,S)-2,3-Butanediol - CAS 19132-06-0
Catalog: |
BB050224 |
Product Name: |
(S,S)-2,3-Butanediol |
CAS: |
19132-06-0 |
Synonyms: |
2,3-Butanediol, (2S,3S)-; (2S,3S)-2,3-Butanediol; 2,3-Butanediol, L-; 2,3-Butanediol, [S-(R*,R*)]-; (+)-2,3-Butanediol; (2S,3S)-(+)-2,3-Butanediol; L-(+)-Butane-2,3-diol; Dextro-2,3-Butanediol |
Related CAS: | 24347-58-8 ((2R,3R)-isomer)
|
IUPAC Name: | (2S,3S)-butane-2,3-diol |
Description: | (S,S)-2,3-Butanediol, a versatile compound utilized extensively in pharmaceutical synthesis, serves as a pivotal chiral precursor for a myriad of drug molecules. Furthermore, its therapeutic applications extend to the management of specific disorders, notably alcohol addiction, showcasing its diverse range of functionalities. |
Molecular Weight: | 90.12 |
Molecular Formula: | C4H10O2 |
Canonical SMILES: | CC(C(C)O)O |
InChI: | InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1 |
InChI Key: | OWBTYPJTUOEWEK-IMJSIDKUSA-N |
Boiling Point: | 180.5°C |
Melting Point: | 18.2°C |
Flash Point: | 85 °C(185.0 °F) |
Purity: | ≥95% |
Density: | 0.997±0.06 g/cm3 |
Solubility: | Soluble in Water |
Appearance: | Clear Colorless Liquid |
Storage: | Store at -20°C |
MDL: | MFCD00063648 |
Refractive Index: | 1.43 |
GHS Hazard Statement: | H227 (50%): Combustible liquid [Warning Flammable liquids]; 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: | 30.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 90.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 90.068079557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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