Hexadecyl 3,5-Di-tert-butyl-4-hydroxybenzoate - CAS 67845-93-6
Catalog: |
BB033417 |
Product Name: |
Hexadecyl 3,5-Di-tert-butyl-4-hydroxybenzoate |
CAS: |
67845-93-6 |
Synonyms: |
3,5-ditert-butyl-4-hydroxybenzoic acid hexadecyl ester; hexadecyl 3,5-ditert-butyl-4-hydroxybenzoate |
IUPAC Name: | hexadecyl 3,5-ditert-butyl-4-hydroxybenzoate |
Description: | Hexadecyl 3,5-Di-tert-butyl-4-hydroxybenzoate (CAS# 67845-93-6) is a useful research chemical. |
Molecular Weight: | 474.76 |
Molecular Formula: | C31H54O3 |
Canonical SMILES: | CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
InChI: | InChI=1S/C31H54O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-29(33)25-23-26(30(2,3)4)28(32)27(24-25)31(5,6)7/h23-24,32H,8-22H2,1-7H3 |
InChI Key: | NZYMWGXNIUZYRC-UHFFFAOYSA-N |
Boiling Point: | 539.2 ℃ at 760 mmHg |
Melting Point: | 63 ℃ |
Purity: | > 98.0 % (GC) |
Density: | 0.936 g/cm3 |
Appearance: | White to almost white powder to crystal |
MDL: | MFCD00180757 |
LogP: | 9.62530 |
Precautionary Statement: | P273: Avoid release to the environment. P501: Dispose of contents/container in accordance with local/regional/national/international regulations. |
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Complexity: | 504 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 474.40729558 |
Formal Charge: | 0 |
Heavy Atom Count: | 34 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 474.40729558 |
Rotatable Bond Count: | 19 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 12.5 |
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