(S)-Trolox - CAS 53174-06-4
Catalog: |
BB053670 |
Product Name: |
(S)-Trolox |
CAS: |
53174-06-4 |
Synonyms: |
(2S)-3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic Acid; (-)-6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic Acid; (S)-(-)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic Acid; (S)-(-)-Trolox |
Related CAS: | 53101-49-8 (R-isomer)
|
IUPAC Name: | (2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid |
Description: | (S)-Trolox is used in the synthesis of vitamin E analogs. |
Molecular Weight: | 250.29 |
Molecular Formula: | C14H18O4 |
Canonical SMILES: | CC1=C(C2=C(CCC(O2)(C)C(=O)O)C(=C1O)C)C |
InChI: | InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)/t14-/m0/s1 |
InChI Key: | GLEVLJDDWXEYCO-AWEZNQCLSA-N |
Boiling Point: | 450.3±45.0°C (Predicted) |
Melting Point: | 160°C (dec.) |
Purity: | ≥95% |
Density: | 1.219±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in Acetonitrile (Slightly), Chloroform (Slightly, Sonicated), Methanol (Slightly) |
Appearance: | White to Pale Beige Solid |
Storage: | Store at -20°C under inert atmosphere |
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: | 343 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.12050905 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.12050905 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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