a-Methylglyceric Acid - CAS 21620-60-0
Catalog: |
BB076012 |
Product Name: |
a-Methylglyceric Acid |
CAS: |
21620-60-0 |
Synonyms: |
2,3-Dihydroxy-2-methylpropanoic Acid; 2,3-Dihydroxy-2-methylpropionic Acid; 2-C-Methylglyceric Acid; 2-Methyl-2,3-dihydroxypropionic Acid; 2-Methylglyceric Acid; 2-Methylglyceronic Acid; α,β-Dihydroxyisobutyric Acid |
IUPAC Name: | 2,3-dihydroxy-2-methylpropanoic acid |
Description: | a-Methylglyceric Acid is a biogenic secondary organic aerosol used in air quality diagnosis. |
Molecular Weight: | 120.1 |
Molecular Formula: | C4H8O4 |
Canonical SMILES: | CC(CO)(C(=O)O)O |
InChI: | InChI=1S/C4H8O4/c1-4(8,2-5)3(6)7/h5,8H,2H2,1H3,(H,6,7) |
InChI Key: | DGADNPLBVRLJGD-UHFFFAOYSA-N |
Melting Point: | 101-103°C |
Solubility: | Methanol (Slightly, Sonicated), Water (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | 4°C, Hygroscopic |
References: | Ru, P., et. al. Environ. Sci. Technol., 48, 8491 (2014); Napelenok, S.L., et. al. Environ. Sci. Technol., 48, 464 (2014); Stone, E.A., et. al. Environ. Chem., 9, 263 (2012). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 100 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 120.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 120.04225873 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 77.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.3 |
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