3-Hydroxy-3-methylhexanoic acid - CAS 58888-76-9
Catalog: |
BB053833 |
Product Name: |
3-Hydroxy-3-methylhexanoic acid |
CAS: |
58888-76-9 |
Synonyms: |
Hexanoic acid, 3-hydroxy-3-methyl- |
IUPAC Name: | 3-hydroxy-3-methylhexanoic acid |
Molecular Weight: | 146.18 |
Molecular Formula: | C7H14O3 |
Canonical SMILES: | CCCC(C)(CC(=O)O)O |
InChI: | InChI=1S/C7H14O3/c1-3-4-7(2,10)5-6(8)9/h10H,3-5H2,1-2H3,(H,8,9) |
InChI Key: | RGRNSTGIHROKJB-UHFFFAOYSA-N |
Boiling Point: | 265.4±23.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.1±0.1 g/cm3 |
Appearance: | Light Yellow Liquid |
GHS Hazard Statement: | 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, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.094294304 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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