3-Methylphenethyl alcohol - CAS 1875-89-4

Technical Data

IUPAC Name:	2-(3-methylphenyl)ethanol
Description:	3-Methylphenethyl alcohol (CAS# 1875-89-4) is a useful research chemical.
Molecular Weight:	136.19
Molecular Formula:	C9H12O
Canonical SMILES:	CC1=CC(=CC=C1)CCO
InChI:	InChI=1S/C9H12O/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7,10H,5-6H2,1H3
InChI Key:	KWHVBVJDKLSOTB-UHFFFAOYSA-N
Boiling Point:	242-243 °C
Flash Point:	109°C
Purity:	95 %
Density:	1.002 g/cm³
Solubility:	water, 4399 mg/L @ 25 °C (est)
Appearance:	Clear very slight yellow liquid
Storage:	Store in a cool, dry place. Keep container closed when not in use.
MDL:	MFCD00002896
LogP:	1.52980
Refractive Index:	1.529
Stability:	Stable under normal temperatures and pressures.

Publication Number	Title	Priority Date
CN-112958161-A	Palladium catalyst and application thereof in catalyzing aryl ethanol compound deoxidation coupling reaction	20210222
CN-112410231-A	Trichoderma viride new strain and application thereof	20201201
CN-112079813-A	UV LED photoinitiator and preparation method thereof	20200818
CN-112079813-B	UV LED photoinitiator and preparation method thereof	20200818
WO-2021142444-A2	Photoredox catalysts and methods of using such catalysts	20200109

Complexity:	90.7
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