α-Ethylphenethyl alcohol - CAS 701-70-2

Catalog:	BB034088
Product Name:	α-Ethylphenethyl alcohol
CAS:	701-70-2
Synonyms:	1-phenylbutan-2-ol

Technical Data

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Computed Properties

IUPAC Name:	1-phenylbutan-2-ol
Description:	α-Ethylphenethyl alcohol (CAS# 701-70-2 ) is a useful research chemical.
Molecular Weight:	150.22
Molecular Formula:	C10H14O
Canonical SMILES:	CCC(CC1=CC=CC=C1)O
InChI:	InChI=1S/C10H14O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3
InChI Key:	LYUPJHVGLFETDG-UHFFFAOYSA-N
Boiling Point:	124-127 °C / 25 mmHg (lit.)
Density:	0.989 g/mL at 25 °C(lit.)
Appearance:	Colorless liquid
MDL:	MFCD00004571
LogP:	2.00000

Publication Number	Title	Priority Date
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021112933-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021074898-A1	Malic enzyme inhibitors	20191017
WO-2021067147-A1	Photoresist remover	20190930
WO-2020255777-A1	Method for producing vinyl chloride polymer	20190619

PMID	Publication Date	Title	Journal
21561434	20120201	Brown adipose tissue mitochondria: modulation by GDP and fatty acids depends on the respiratory substrates	Bioscience reports
20209153	20100302	Fusion of the endoplasmic reticulum and mitochondrial outer membrane in rats brown adipose tissue: activation of thermogenesis by Ca2+	PloS one

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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:	95
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.104465066
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	150.104465066
Rotatable Bond Count:	3
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5