2',6'-Dihydroxyacetophenone - CAS 699-83-2

Catalog:	BB034035
Product Name:	2',6'-Dihydroxyacetophenone
CAS:	699-83-2
Synonyms:	1-(2,6-dihydroxyphenyl)ethanone

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-(2,6-dihydroxyphenyl)ethanone
Description:	2',6'-Dihydroxyacetophenone (CAS# 699-83-2) is a compound useful in organic synthesis.
Molecular Weight:	152.15
Molecular Formula:	C8H8O3
Canonical SMILES:	CC(=O)C1=C(C=CC=C1O)O
InChI:	InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3
InChI Key:	YPTJKHVBDCRKNF-UHFFFAOYSA-N
Boiling Point:	262.8 °C at 760 mmHg
Melting Point:	155 - 156 °C
Purity:	99 %
Density:	1.291 g/cm³
Solubility:	3269 mg/L at 25 °C (est)
Appearance:	Yellowish-beige powder
MDL:	MFCD00002270
LogP:	1.30040

Publication Number	Title	Priority Date
EP-3901142-A1	Pyrazolylbenzene-1,3-diols for diseases associated with g protein-coupled receptor 18 and in combination with transient receptor potential vanilloid 1	20200421
US-2021323927-A1	Pyrazolylbenzene-1,3-diols for diseases associated with g protein-coupled receptor 18 and in combination with transient receptor potential vanilloid 1	20200417
JP-2021138905-A	glue	20200302
WO-2021201949-A2	Methods for detection of microbes and microbe components	20200110
KR-20210065882-A	Novel quercetin redox derivatives and their use as bet inhibitors	20191126

PMID	Publication Date	Title	Journal
22406432	20120601	Evaluation of 2,6-dihydroxyacetophenone as matrix-assisted laser desorption/ionization matrix for analysis of hydrophobic proteins and peptides	Analytical biochemistry
21908224	20120501	An efficient and selective way to new highly functionalized coronands or spiro derivatives using ultrasonic irradiation	Ultrasonics sonochemistry
21763188	20111015	A new Schiff base compound N,N'-(2,2-dimetylpropane)-bis(dihydroxylacetophenone): synthesis, experimental and theoretical studies on its crystal structure, FTIR, UV-visible, 1H NMR and 13C NMR spectra	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
21959301	20110929	Inhibitory effects of constituents from Euphorbia lunulata on differentiation of 3T3-L1 cells and nitric oxide production in RAW264.7 cells	Molecules (Basel, Switzerland)
21615508	20110901	Murine tyrosinase inhibitors from Cynanchum bungei and evaluation of in vitro and in vivo depigmenting activity	Experimental dermatology

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

GHS Hazard Statement:	H315 (96.23%): 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:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.047344113
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	152.047344113
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4