Hexadecyl 3,5-Di-tert-butyl-4-hydroxybenzoate
Product Information
Molecular Formula
C31H54O3
Molecular Weight
474.76
Description
Hexadecyl 3,5-Di-tert-butyl-4-hydroxybenzoate (CAS# 67845-93-6) is a useful research chemical.
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
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 °C at 760 mmHg
Melting Point
63 °C
Purity
> 98.0 % (GC)
Density
0.936 g/cm3
Appearance
White to almost white powder to crystal
LogP
9.62530
Safety Information
Hazards
H413:
May cause long-lasting harmful effects to aquatic life.
May cause long-lasting harmful effects to aquatic life.
Precautionary Statement
P273:
Avoid release to the environment.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Avoid release to the environment.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Computed Properties
XLogP3
12.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
19
Exact Mass
474.40729558 g/mol
Monoisotopic Mass
474.40729558 g/mol
Topological Polar Surface Area
46.5Ų
Heavy Atom Count
34
Formal Charge
0
Complexity
504
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
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|---|---|---|
| CN-114149769-A | High-reflection black adhesive film and preparation method and application thereof | 2021-12-29 |
| CN-114161802-A | Composite certificate card film and preparation method and application thereof | 2021-12-17 |
| CN-114149754-A | Grid adhesive film and preparation method and application thereof | 2021-11-30 |
| CN-113999456-A | High-performance weather-proof wear-resistant glass fiber reinforced polypropylene material with low dielectric constant and preparation method thereof | 2021-11-24 |
| CN-113943537-A | Black high-repeated-combination packaging adhesive film and preparation method thereof | 2021-10-26 |
| CN-113913117-A | Photovoltaic cell module packaging adhesive film and preparation method and application thereof | 2021-10-12 |
| CN-114015364-A | Polyolefin photovoltaic packaging adhesive film and preparation method thereof | 2021-10-11 |
| CN-113736177-A | Weather-resistant master batch UV-7308PP5 and preparation method and application thereof | 2021-09-30 |
| CN-113861819-A | Thermal repair coating and preparation method and application thereof | 2021-09-28 |
| CN-113912819-A | Polyurethane material and preparation method and application thereof | 2021-09-28 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 5011 | 1975-03-01 | [A case of acute tobacco poisoning by enema] | Annales de l'anesthesiologie francaise |
