4-(2-Methylpropyl)benzenemethanol - CAS 110319-85-2

Catalog:	BB059514
Product Name:	4-(2-Methylpropyl)benzenemethanol
CAS:	110319-85-2
Synonyms:	4-Isobutylbenzyl Alcohol

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Computed Properties

IUPAC Name:	[4-(2-methylpropyl)phenyl]methanol
Description:	4-(2-Methylpropyl)benzenemethanol is used in the synthesis of hydroxamic acid inhibitors of 5-lipoxygenase. Ibuprofen impurity,
Molecular Weight:	164.24
Molecular Formula:	C11H16O
Canonical SMILES:	CC(C)CC1=CC=C(C=C1)CO
InChI:	InChI=1S/C11H16O/c1-9(2)7-10-3-5-11(8-12)6-4-10/h3-6,9,12H,7-8H2,1-2H3
InChI Key:	ZOMLPKKJTRFTEU-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance:	Clear Colorless to Light Yellow Oil
Storage:	Refrigerator
References:	Summers, J. et al. J. med. Chem., 30, 2121 (1987).

Publication Number	Title	Priority Date
JP-2022506685-A	Pyridadinone compounds and their use	20181106
US-2021179779-A1	Triazine-ring-containing polymer and composition including same	20171108
BR-102017025235-A2	composition, formulation and fragrance product, and methods for enhancing, enhancing or modifying a fragrance formulation and neutralizing an unpleasant odor	20161220
EP-3339406-A1	Fragrance composition	20161220
EP-3339406-B1	Fragrance composition	20161220
US-10273432-B2	Organoleptic compounds	20161220
US-2018171264-A1	Novel organoleptic compounds	20161220
ES-2781089-T3	Fragrance composition	20161220
US-2018200389-A1	Photoacoustic voltage-sensitive dyes for in vivo imaging	20161209
US-2017260151-A1	Novel Selenazolidine and Thiazolidine Compounds for Treating Cancer and Other Diseases	20160314

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.12011513
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.12011513
Rotatable Bond Count:	3
Topological Polar Surface Area:	20.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8