3,5-Di-tert-butyl-4-hydroxybenzyl alcohol - CAS 88-26-6
Catalog: |
BB038801 |
Product Name: |
3,5-Di-tert-butyl-4-hydroxybenzyl alcohol |
CAS: |
88-26-6 |
Synonyms: |
2,6-ditert-butyl-4-(hydroxymethyl)phenol |
IUPAC Name: | 2,6-ditert-butyl-4-(hydroxymethyl)phenol |
Description: | 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol (CAS# 88-26-6) is a useful research chemical. |
Molecular Weight: | 236.35 |
Molecular Formula: | C15H24O2 |
Canonical SMILES: | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO |
InChI: | InChI=1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3 |
InChI Key: | HNURKXXMYARGAY-UHFFFAOYSA-N |
Boiling Point: | 214 °C / 40 mmHg |
Melting Point: | 139-141 °C |
Purity: | 98 % |
Density: | 1.005 g/cm3 |
Solubility: | 312.6 mg/L at 25 °C (est) |
Appearance: | Solid |
LogP: | 3.47950 |
GHS Hazard Statement: | H315 (97.73%): 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 |
23063794 | 20121116 | Fast analysis of synthetic antioxidants in edible vegetable oil using trilinear component modeling of liquid chromatography-diode array detection data | Journal of chromatography. A |
22093692 | 20120115 | Oxidation of synthetic phenolic antioxidants during water chlorination | Journal of hazardous materials |
21670827 | 20110728 | The role of low levels of water in the electrochemical oxidation of α-tocopherol (vitamin E) and other phenols in acetonitrile | Physical chemistry chemical physics : PCCP |
18324785 | 20080401 | Screening of 397 chemicals and development of a quantitative structure--activity relationship model for androgen receptor antagonism | Chemical research in toxicology |
18958741 | 20071001 | Identification of phenolic dermal sensitizers in a wound closure tape | Journal of immunotoxicology |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.177630004 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.177630004 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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