4-Methylphenethyl alcohol - CAS 699-02-5

Catalog:	BB034010
Product Name:	4-Methylphenethyl alcohol
CAS:	699-02-5
Synonyms:	2-(4-methylphenyl)ethanol

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	2-(4-methylphenyl)ethanol
Description:	4-Methylphenethyl alcohol (CAS# 699-02-5) is a useful research chemical compound.
Molecular Weight:	136.19
Molecular Formula:	C9H12O
Canonical SMILES:	CC1=CC=C(C=C1)CCO
InChI:	InChI=1S/C9H12O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,10H,6-7H2,1H3
InChI Key:	DAVFJRVIVZOKKS-UHFFFAOYSA-N
Boiling Point:	244-245 °C (lit.)
Flash Point:	225 °F
Purity:	95 %
Density:	0.978 g/mL at 25 °C (lit.)
Solubility:	water, 4399 mg/L @ 25 °C (est)
Appearance:	Clear colorless to faintly yellow liquid
MDL:	MFCD00002904
LogP:	1.52980
Refractive Index:	n20/D 1.526(lit.)

Publication Number	Title	Priority Date
CN-113292534-A	Preparation method of bilastine key intermediate	20210527
CN-112958161-A	Palladium catalyst and application thereof in catalyzing aryl ethanol compound deoxidation coupling reaction	20210222
WO-2021177417-A1	Aromatic compound, organic semiconductor layer and organic thin film transistor	20200304
CN-111116328-A	Preparation method of metoprolol intermediate	20191227
WO-2021121362-A1	Furaneol glycoside compound, pharmaceutical composition thereof, preparation method therefor, and application thereof	20191220

PMID	Publication Date	Title	Journal
22036968	20120901	Fragrance material review on 2-p-tolylethanol	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
22347059	20120201	Diethyl 2,2-bis-(3,5-di-tert-butyl-4-hy-droxy-benz-yl)malonate	Acta crystallographica. Section E, Structure reports online
22272350	20120101	The translation elongation factor eEF-1Bβ1 is involved in cell wall biosynthesis and plant development in Arabidopsis thaliana	PloS one
22524069	20120101	Liquid crystal sol containing oleophilic Pd nanoparticles for liquid crystal device	Journal of nanoscience and nanotechnology
22563467	20120101	Aeromonas surface glucan attached through the O-antigen ligase represents a new way to obtain UDP-glucose	PloS one

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Related Functional Groups

Alcohols and Derivatives

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(1R)-1-(4-Nitrophenyl)ethanol
[113724-48-4]
(R)-1-(2-Methoxyphenyl)ethanol
[64437-48-5]
(Z)-10-Hexadecenol
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[5272-36-6]
3-(Trimethylsilyl)propargyl alcohol
[2892-51-5]
3,4-Dihydroxy-3-cyclobutene-1,2-dione

Oxygen Compounds

[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[37503-42-7]
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

Complexity:	82.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.088815002
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	136.088815002
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9