4-Ethylcatechol - CAS 1124-39-6

Catalog:	BB002976
Product Name:	4-Ethylcatechol
CAS:	1124-39-6
Synonyms:	4-ethylbenzene-1,2-diol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-ethylbenzene-1,2-diol
Description:	4-Ethylcatechol (CAS# 1124-39-6) is one of the main phenolic off-flavour markers in French ciders.
Molecular Weight:	138.16
Molecular Formula:	C8H10O2
Canonical SMILES:	CCC1=CC(=C(C=C1)O)O
InChI:	InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
InChI Key:	HFLGBNBLMBSXEM-UHFFFAOYSA-N
Boiling Point:	273.3 °C at 760 mmHg
Melting Point:	41 °C
Density:	1.159 g/cm³
Solubility:	5520 mg/L at 25 °C (est)
Appearance:	White to tan solid, powder, crystals, crystalline powder and/or chunks
Storage:	Keep in dark place, Sealed in dry, 2-8 °C
MDL:	MFCD00015847
LogP:	1.66020

Publication Number	Title	Priority Date
WO-2021127612-A1	Biomass-based pesticides and methods of making the same	20191219
WO-2021119249-A1	Cyclophilin d inhibitors and uses thereof	20191210
US-2021147665-A1	Thermal debinding techniques for additive manufacturing and related systems and methods	20191115
WO-2021049515-A1	Complex and production method for complex	20190912
US-10377702-B1	Hydroxytyrosol isophorone diisocyannate derivative with antioxidant activity and a method of preparing the same	20190530

PMID	Publication Date	Title	Journal
22137683	20120201	Implications of Lactobacillus collinoides and Brettanomyces/Dekkera anomala in phenolic off-flavour defects of ciders	International journal of food microbiology
22470482	20120101	De-novo assembly and analysis of the heterozygous triploid genome of the wine spoilage yeast Dekkera bruxellensis AWRI1499	PloS one
21839372	20111001	Screening of representative cider yeasts and bacteria for volatile phenol-production ability	Food microbiology
21625478	20110101	Anti-influenza activity of marchantins, macrocyclic bisbibenzyls contained in liverworts	PloS one
20934182	20101112	Sorptive extraction with in-sample acetylation for gas chromatography-mass spectrometry determination of ethylphenol species in wine samples	Journal of chromatography. A

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Related Functional Groups

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[202288-73-1]
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[1183749-69-0]
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[5416-55-7]
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GHS Hazard Statement:	H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.068079557
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	138.068079557
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5