2,4,6-Tri-tert-butylphenol - CAS 732-26-3

Name: 2,4,6-Tri-tert-butylphenol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	2,4,6-tritert-butylphenol
Description:	2,4,6-Tri-tert-butylphenol (CAS# 732-26-3) is a useful research chemical compound.
Molecular Weight:	262.43
Molecular Formula:	C18H30O
Canonical SMILES:	CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI:	InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3
InChI Key:	PFEFOYRSMXVNEL-UHFFFAOYSA-N
Boiling Point:	277 °C
Melting Point:	131 °C
Flash Point:	130.00 °C (266.00 °F) (closed cup)
Density:	0.911 g/cm³
Appearance:	Crystals from alcohol, Petroleum ether
Decomposition:	When heated to decomposition it emits acrid smoke and irritating vapors
MDL:	MFCD00008821
LogP:	5.28470
Stability:	Storage stability: stable under recommended storage conditions. Materials to avoid: bases, Acid chlorides, Acid anhydrides, Oxidizing agents, Brass, Copper. Hazardous decomposition products... - carbon oxides
Vapor Pressure:	0.000661 [mmHg]

GHS Hazard Statement:	H302 (30.85%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P391, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
32473317	20200901	Identifying adipogenic chemicals: Disparate effects in 3T3-L1, OP9 and primary mesenchymal multipotent cell models	Toxicology in vitro : an international journal published in association with BIBRA
23004279	20120615	Dielectric wakefield acceleration of a relativistic electron beam in a slab-symmetric dielectric lined waveguide	Physical review letters
22429846	20120601	In-vivo passive sampling to measure elimination kinetics in bioaccumulation tests	Chemosphere
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
20645352	20100816	Dioxygenase-like reactivity of an isolable superoxo-nickel(II) complex	Chemistry (Weinheim an der Bergstrasse, Germany)

Complexity:	273
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	262.229665576
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	262.229665576
Rotatable Bond Count:	3
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.6