4-(2,4-Di-tert-pentylphenoxy)butyric acid - CAS 50772-35-5
Catalog: |
BB027210 |
Product Name: |
4-(2,4-Di-tert-pentylphenoxy)butyric acid |
CAS: |
50772-35-5 |
Synonyms: |
4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoic acid |
IUPAC Name: | 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoic acid |
Description: | 4-(2,4-Di-tert-pentylphenoxy)butyric acid (CAS# 50772-35-5) is a useful research chemical compound. |
Molecular Weight: | 320.47 |
Molecular Formula: | C20H32O3 |
Canonical SMILES: | CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)O)C(C)(C)CC |
InChI: | InChI=1S/C20H32O3/c1-7-19(3,4)15-11-12-17(23-13-9-10-18(21)22)16(14-15)20(5,6)8-2/h11-12,14H,7-10,13H2,1-6H3,(H,21,22) |
InChI Key: | LZSDVFDKDUZVFK-UHFFFAOYSA-N |
Boiling Point: | 444.9 °C at 760 mmHg |
Density: | 0.989 g/cm3 |
MDL: | MFCD00128800 |
LogP: | 5.30540 |
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 |
Publication Number | Title | Priority Date |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
US-10254456-B2 | Polarizing plate composition, polarizing plate protective film, polarizer, polarizing plate, and liquid crystal display device | 20140305 |
US-2016369115-A1 | Polarizing plate composition, polarizing plate protective film, polarizer, polarizing plate, liquid crystal display device, and compound used in the liquid crystal display device | 20140305 |
US-2016370523-A1 | Polarizing plate composition, polarizing plate protective film, polarizer, polarizing plate, and liquid crystal display device | 20140305 |
US-2015239931-A1 | Inhibitors of protein tyrosine phosphatases | 20121004 |
Complexity: | 373 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 320.23514488 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 320.23514488 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.2 |
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