2-Ethyl-4-methylphenol - CAS 3855-26-3

Catalog:	BB055201
Product Name:	2-Ethyl-4-methylphenol
CAS:	3855-26-3
Synonyms:	2-Ethyl-4-methylphenol; 2-Ethyl-p-cresol; p-Cresol, 2-ethyl-; Phenol, 2-ethyl-4-methyl-; 2-ethyl-4-methyl-phenol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-ethyl-4-methylphenol
Molecular Weight:	136.19
Molecular Formula:	C9H12O
Canonical SMILES:	CCC1=C(C=CC(=C1)C)O
InChI:	InChI=1S/C9H12O/c1-3-8-6-7(2)4-5-9(8)10/h4-6,10H,3H2,1-2H3
InChI Key:	AVVVXUXMKWPKAJ-UHFFFAOYSA-N
Boiling Point:	214.88 °C at 760.00 mm Hg (est)
Solubility:	745.7 mg/l at 25 °C (est)
LogP:	3.006 (est)

Publication Number	Title	Priority Date
WO-2021127612-A1	Biomass-based pesticides and methods of making the same	20191219
EP-3818034-A1	Treatment of residual streams from the manufacture of bisphenols	20180706
WO-2020009016-A1	Method for producing organic compound	20180705
US-2020325363-A1	Adhesive composition including at least two types of dyes, adhesive sheet, and display device including same	20171229
EP-3495434-B1	Novel tetracarboxylic dianhydride, polyimide resin and method for producing the same, photosensitive resin compositions, patterning process, method for forming cured film, interlayer insulating film, surface protective film, and electronic parts	20171205
EP-3626802-A1	Method for producing liquid composition	20170914
US-2020199444-A1	Method for producing liquid composition	20170914
US-11046886-B2	Method for producing liquid composition	20170914
EP-3615209-A1	Catalyst system and process for producing bisphenol-a	20170424
US-2020047170-A1	Catalyst system and process for producing bisphenol-a	20170424

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501
Signal Word:	Danger

Complexity:	101
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:	1
Topological Polar Surface Area:	20.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7