β-Hydroxyisovaleric acid - CAS 625-08-1
Catalog: |
BB031630 |
Product Name: |
β-Hydroxyisovaleric acid |
CAS: |
625-08-1 |
Synonyms: |
3-hydroxy-3-methylbutanoic acid |
IUPAC Name: | 3-hydroxy-3-methylbutanoic acid |
Description: | β-Hydroxyisovaleric acid (CAS# 625-08-1) is an intermediate for the synthesis of 4'-Chlorodiazepam (C366833), which has anxiogenic activity. |
Molecular Weight: | 118.13 |
Molecular Formula: | C5H10O3 |
Canonical SMILES: | CC(C)(CC(=O)O)O |
InChI: | InChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7) |
InChI Key: | AXFYFNCPONWUHW-UHFFFAOYSA-N |
Boiling Point: | 88 °C1 mmHg (lit.) |
Melting Point: | -80 °C (lit.) |
Purity: | 95 % |
Density: | 0.938 g/mL at 25°C(lit.) |
Appearance: | Colorless to light yellow liquid |
Storage: | Refrigerator |
LogP: | 0.23200 |
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 |
24124592 | 20130101 | Leucine and HMB differentially modulate proteasome system in skeletal muscle under different sarcopenic conditions | PloS one |
22705301 | 20120713 | β-Hydroxy-β-methylbutyrate (HMB) prevents dexamethasone-induced myotube atrophy | Biochemical and biophysical research communications |
22624806 | 20120706 | Urinary metabolite variation is associated with pathological progression of the post-hepatitis B cirrhosis patients | Journal of proteome research |
22075640 | 20120701 | Metabolic and functional effects of beta-hydroxy-beta-methylbutyrate (HMB) supplementation in skeletal muscle | European journal of applied physiology |
22713677 | 20120619 | Metabolic profiling detects early effects of environmental and lifestyle exposure to cadmium in a human population | BMC medicine |
Complexity: | 95.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.062994177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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