(S)-Ethyl 3-methyl-2-hydroxy-butanoate - CAS 63674-18-0
Catalog: |
BB054685 |
Product Name: |
(S)-Ethyl 3-methyl-2-hydroxy-butanoate |
CAS: |
63674-18-0 |
Synonyms: |
ethyl (S)-2-hydroxy-3-methylbutanoate; (2S)-2-Hydroxyisovaleric acid ethyl ester; Butanoic acid, 2-hydroxy-3-methyl-, ethyl ester, (2S)- |
IUPAC Name: | ethyl (2S)-2-hydroxy-3-methylbutanoate |
Molecular Weight: | 146.18 |
Molecular Formula: | C7H14O3 |
Canonical SMILES: | CCOC(=O)C(C(C)C)O |
InChI: | InChI=1S/C7H14O3/c1-4-10-7(9)6(8)5(2)3/h5-6,8H,4H2,1-3H3/t6-/m0/s1 |
InChI Key: | IZRVEUZYBVGCFC-LURJTMIESA-N |
Boiling Point: | 181.6±8.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.0±0.1 g/cm3 |
GHS Hazard Statement: | H227 (100%): 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: | P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 109 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.094294304 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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