2-Isopropoxyphenol - CAS 4812-20-8

Catalog:	BB026495
Product Name:	2-Isopropoxyphenol
CAS:	4812-20-8
Synonyms:	2-propan-2-yloxyphenol

Technical Data

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Computed Properties

IUPAC Name:	2-propan-2-yloxyphenol
Description:	2-Isopropoxyphenol (CAS# 4812-20-8) is used in the synthesis of α1-adrenoreceptor antagonist activity of tamsulosin analogues. Also used in the preparation of 5-HT1A receptor agonists.
Molecular Weight:	152.19
Molecular Formula:	C9H12O2
Canonical SMILES:	CC(C)OC1=CC=CC=C1O
InChI:	InChI=1S/C9H12O2/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7,10H,1-2H3
InChI Key:	ZNCUUYCDKVNVJH-UHFFFAOYSA-N
Boiling Point:	100-102 ℃ (11 mmHg)
Density:	1.03 g/cm³
Appearance:	Solid
MDL:	MFCD00002184
LogP:	2.17940

Publication Number	Title	Priority Date
CN-112573700-A	Method for treating organic chemical wastewater by using plant ash	20201203
CN-111620764-A	Selective ether bond breaking method of aryl alkyl ether	20200324
US-2021265117-A1	Solid Electrolytic Capacitor Containing Polyaniline	20200213
WO-2021163105-A1	Solid electrolytic capacitor containing polyaniline	20200213
KR-20210097356-A	Composition for episulfide-based high refractive optical material with controlled curing rate during polymerization and manufacturing method of optical material using same	20200130

PMID	Publication Date	Title	Journal
19517433	20090601	In-capillary microextraction using monolithic polymers: application to preconcentration of carbamate pesticides prior to their separation by MEKC	Electrophoresis
17097400	20061201	The treatment of melasma: a review of clinical trials	Journal of the American Academy of Dermatology
17107853	20061101	An intervention to reduce residential insecticide exposure during pregnancy among an inner-city cohort	Environmental health perspectives
16203262	20051001	Lessons learned for the assessment of children's pesticide exposure: critical sampling and analytical issues for future studies	Environmental health perspectives
16419409	20051001	Simple liquid chromatographic method for the rapid and simultaneous determination of propoxur and its major metabolite isopropoxy phenol in rat blood and urine using solid-phase extraction	Journal of analytical toxicology

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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:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.083729621
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.083729621
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1