2-Ethyl-2-hydroxybutyric acid - CAS 3639-21-2
Catalog: |
BB022952 |
Product Name: |
2-Ethyl-2-hydroxybutyric acid |
CAS: |
3639-21-2 |
Synonyms: |
2-ethyl-2-hydroxybutanoic acid |
IUPAC Name: | 2-ethyl-2-hydroxybutanoic acid |
Description: | 2-Ethyl-2-hydroxybutyric acid (CAS# 3639-21-2 ) is a useful research chemical. |
Molecular Weight: | 132.16 |
Molecular Formula: | C6H12O3 |
Canonical SMILES: | CCC(CC)(C(=O)O)O |
InChI: | InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8) |
InChI Key: | LXVSANCQXSSLPA-UHFFFAOYSA-N |
Boiling Point: | 251.3 ℃ at 760 mmHg |
Density: | 1.103 g/cm3 |
Solubility: | 26 mg/mL at 18 °C |
Appearance: | Solid |
MDL: | MFCD00004183 |
LogP: | 0.62210 |
GHS Hazard Statement: | H315 (100%): 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 |
18766223 | 20080928 | Potentiometric, spectroscopic, electrochemical and DFT characterization of oxovanadium(IV) complexes formed by citrate and tartrates in aqueous solution at high ligand to metal molar ratios: the effects of the trigonal bipyramidal distortion in bis-chelated species and biological implications | Dalton transactions (Cambridge, England : 2003) |
15465638 | 20041201 | Oxidative activation of the human carcinogen chromate by arsenite: a model for synergistic metal activation leading to oxidative DNA damage | Toxicology in vitro : an international journal published in association with BIBRA |
14753827 | 20040209 | X-ray absorption spectroscopic studies of chromium(V/IV/III)- 2-ethyl-2-hydroxybutanoato(2-/1-) complexes | Inorganic chemistry |
11703128 | 20011119 | Vanadium(V) complexes of alpha-hydroxycarboxylic acids in aqueous solution | Inorganic chemistry |
11300834 | 20010312 | Electron transfer. 147. Reductions with gallium(I) | Inorganic chemistry |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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