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Product No: AA6075

2',4'-Dihydroxyacetophenone, 98%

Name: 2',4'-Dihydroxyacetophenone
Brand: Chempure

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CAS Number

89-84-9

Molecular Weight

152.15

Formula

C8H8O3

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IUPAC name	1-(2,4-dihydroxyphenyl)ethanone
canonical smiles	CC(=O)C1=C(C=C(C=C1)O)O
inchi	InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3
inchi key	SULYEHHGGXARJS-UHFFFAOYSA-N
molecular formula	C8H8O3
synonyms	2',4'-DIHYDROXYACETOPHENONE 89-84-9 2,4-Dihydroxyacetophenone Resacetophenone 1-(2,4-Dihydroxyphenyl)ethanone
Compound Description	2',4'-dihydroxyacetophenone is a dihydroxyacetophenone that is acetophenone carrying hydroxy substituents at positions 2' and 4'. It has a role as a plant metabolite. It is a member of resorcinols and a dihydroxyacetophenone. 2',4'-Dihydroxyacetophenone is a natural product found in Daldinia eschscholtzii, Vincetoxicum paniculatum, and other organisms with data available. See also: Paeonia X suffruticosa root .

Computed Properties

Molecular Weight:	152.15 g/mol
XLogP3:	1.7
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	1
Exact Mass:	152.047344113 g/mol
Monoisotopic Mass:	152.047344113 g/mol
Topological Polar Surface Area:	57.5 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	155
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

o-Cresol

Methyl Salicylate

Salicylamide

Methylparaben

Methyl anthranilate

Salicylaldehyde

4-Aminosalicylic acid

Dimethyl anthranilate

Salicyl alcohol

2'-Aminoacetophenone

Paeonol

Resacetophenone

4'-Hydroxyacetophenone

Ethyl salicylate

2'-Hydroxyacetophenone

hazard signal	Danger
hazard classes and categories	Skin Irrit. 2 (98%) Eye Dam. 1 (96%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (96%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	A severe eye irritant. Decomposed slowly by water. An irritant that may cause serious eye injury. See Acetophenone and Resorcinol.

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Documentation

Certificate of Analysis

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	1-(2,4-dihydroxyphenyl)ethanone
canonical smiles	CC(=O)C1=C(C=C(C=C1)O)O
inchi	InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3
inchi key	SULYEHHGGXARJS-UHFFFAOYSA-N
molecular formula	C8H8O3
synonyms	2',4'-DIHYDROXYACETOPHENONE 89-84-9 2,4-Dihydroxyacetophenone Resacetophenone 1-(2,4-Dihydroxyphenyl)ethanone
Compound Description	2',4'-dihydroxyacetophenone is a dihydroxyacetophenone that is acetophenone carrying hydroxy substituents at positions 2' and 4'. It has a role as a plant metabolite. It is a member of resorcinols and a dihydroxyacetophenone. 2',4'-Dihydroxyacetophenone is a natural product found in Daldinia eschscholtzii, Vincetoxicum paniculatum, and other organisms with data available. See also: Paeonia X suffruticosa root .

Computed Properties

Molecular Weight:	152.15 g/mol
XLogP3:	1.7
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	1
Exact Mass:	152.047344113 g/mol
Monoisotopic Mass:	152.047344113 g/mol
Topological Polar Surface Area:	57.5 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	155
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

o-Cresol

Methyl Salicylate

Salicylamide

Methylparaben

Methyl anthranilate

Salicylaldehyde

4-Aminosalicylic acid

Dimethyl anthranilate

Salicyl alcohol

2'-Aminoacetophenone

Paeonol

Resacetophenone

4'-Hydroxyacetophenone

Ethyl salicylate

2'-Hydroxyacetophenone

hazard signal	Danger
hazard classes and categories	Skin Irrit. 2 (98%) Eye Dam. 1 (96%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (96%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	A severe eye irritant. Decomposed slowly by water. An irritant that may cause serious eye injury. See Acetophenone and Resorcinol.

Product No: AA6075

2',4'-Dihydroxyacetophenone, 98%

Product No: AA6075

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA6075

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?