3,5-Diisopropyl-2-hydroxybenzoic acid - CAS 2215-21-6
Catalog: |
BB017422 |
Product Name: |
3,5-Diisopropyl-2-hydroxybenzoic acid |
CAS: |
2215-21-6 |
Synonyms: |
2-hydroxy-3,5-di(propan-2-yl)benzoic acid |
IUPAC Name: | 2-hydroxy-3,5-di(propan-2-yl)benzoic acid |
Description: | 3,5-Diisopropyl-2-hydroxybenzoic acid (CAS# 2215-21-6) is used in preparation of Benzamides as LRH-1 modulators. |
Molecular Weight: | 222.28 |
Molecular Formula: | C13H18O3 |
Canonical SMILES: | CC(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)C |
InChI: | InChI=1S/C13H18O3/c1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16/h5-8,14H,1-4H3,(H,15,16) |
InChI Key: | XUFUYOGWFZSHGE-UHFFFAOYSA-N |
Boiling Point: | 324.5 °C at 760 mmHg |
Melting Point: | 112-116 °C |
Purity: | 95 % |
Density: | 1.108 g/cm3 |
Appearance: | Beige to grey crystalline powder |
MDL: | MFCD00008884 |
LogP: | 3.33720 |
GHS Hazard Statement: | H315 (11.63%): 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 |
22925119 | 20121115 | Conductivity in nonpolar media: experimental and numerical studies on sodium AOT-hexadecane, lecithin-hexadecane and aluminum(III)-3,5-diisopropyl salicylate-hexadecane systems | Journal of colloid and interface science |
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Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.125594432 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.125594432 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.5 |
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