4-Chloro-2-isopropyl-5-methylphenol - CAS 89-68-9

Catalog:	BB053881
Product Name:	4-Chloro-2-isopropyl-5-methylphenol
CAS:	89-68-9
Synonyms:	4-chloro-5-methyl-2-propan-2-ylphenol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-chloro-5-methyl-2-propan-2-ylphenol
Description:	4-Chloro-2-isopropyl-5-methylphenol (CAS# 89-68-9) is a useful research chemical.
Molecular Weight:	184.66
Molecular Formula:	C10H13ClO
Canonical SMILES:	CC1=CC(=C(C=C1Cl)C(C)C)O
InChI:	InChI=1S/C10H13ClO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,1-3H3
InChI Key:	KFZXVMNBUMVKLN-UHFFFAOYSA-N
Boiling Point:	257.4±35.0 °C at 760 mmHg
Melting Point:	60-62 °C
Purity:	95 %
Density:	1.1±0.1 g/cm3
Appearance:	White Powder
MDL:	MFCD00002326
LogP:	3.47740

Publication Number	Title	Priority Date
CN-112175521-A	Elastic exterior wall waterproof coating and preparation method thereof	20200922
CN-111826046-A	Environment-friendly water-based paint for buildings and preparation method thereof	20200730
CN-111747699-A	Two-component resin type ceramic tile back glue	20200721
CN-111374903-A	Cosmetic composition containing phytochelatin	20200522
WO-2021207478-A1	Compositions and methods for treating hot flashes	20200410

PMID	Publication Date	Title	Journal
22438954	20120101	Carvacrol, a food-additive, provides neuroprotection on focal cerebral ischemia/reperfusion injury in mice	PloS one
19188039	20090405	Lipophilicity of some GABAergic phenols and related compounds determined by HPLC and partition coefficients in different systems	Journal of pharmaceutical and biomedical analysis
17111463	20061201	Acaricidal activities of some essential oils and their monoterpenoidal constituents against house dust mite, Dermatophagoides pteronyssinus (Acari: Pyroglyphidae)	Journal of Zhejiang University. Science. B
16497524	20061101	Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods	Journal of molecular graphics & modelling
16835130	20060101	Final report on the safety assessment of sodium p-chloro-m-cresol, p-chloro-m-cresol, chlorothymol, mixed cresols, m-cresol, o-cresol, p-cresol, isopropyl cresols, thymol, o-cymen-5-ol, and carvacrol	International journal of toxicology

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Related Functional Groups

Halides

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[4860-03-1]
1-Chlorohexadecane
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one

Oxygen Compounds

[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one

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:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.0654927
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	184.0654927
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9