4-tert-Butylbenzyl alcohol - CAS 877-65-6

Catalog:	BB038626
Product Name:	4-tert-Butylbenzyl alcohol
CAS:	877-65-6
Synonyms:	(4-tert-butylphenyl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(4-tert-butylphenyl)methanol
Description:	4-tert-Butylbenzyl alcohol (CAS# 877-65-6) is a useful research chemical.
Molecular Weight:	164.24
Molecular Formula:	C11H16O
Canonical SMILES:	CC(C)(C)C1=CC=C(C=C1)CO
InChI:	InChI=1S/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
InChI Key:	FVEINXLJOJPHLH-UHFFFAOYSA-N
Boiling Point:	140 °C (20 mmHg)
Purity:	98 %
Density:	0.928 g/cm³
MDL:	MFCD00004662
LogP:	2.47640

Publication Number	Title	Priority Date
CN-112300085-A	Alkenyl method of methyl heterocyclic compound	20201117
CN-113493388-A	Synthesis method of butenafine hydrochloride	20200408
JP-2021095368-A	Dithioester compound	20191218
US-2021188780-A1	Dithioester compound	20191218
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204

PMID	Publication Date	Title	Journal
17623293	20070101	Partial oxidation of 4-tert-butyltoluene catalyzed by homogeneous cobalt and cerium acetate catalysts in the Br-/H2O2/acetic acid system: insights into selectivity and mechanism	Chemistry (Weinheim an der Bergstrasse, Germany)

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Related Functional Groups

Alcohols and Derivatives

[64437-48-5]
(Z)-10-Hexadecenol
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[112256-09-4]
1-Cyclopentyl-2-propyn-1-ol
[4780-79-4]
1-Naphthalenemethanol
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[163190-79-2]
2-Bromo-4-methoxybenzyl Alcohol

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde

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

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.120115130
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.120115130
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9