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3-Hydroxyacetophenone

CAT: 0804-HY-Y0603-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-Y0603-01Size:25 g
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Description
3-Hydroxyacetophenone (m-Hydroxyacetophenone) is a hydroxy-substituted alkyl phenyl ketone and also a plant defensin in carnations. 3-Hydroxyacetophenone has antifusarium activity. In addition, 3-Hydroxyacetophenone can be used to synthesize Rivastigmine[2][3].
CAS Number
121-71-1
Product Name Alternative
M-Hydroxyacetophenone
UNSPSC
12352005
Hazard Statement
H315, H319, H402
Target
Drug Intermediate; Fungal
Type
Natural Products
Related Pathways
Anti-infection; Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/3-hydroxyacetophenone.html
Concentration
10mM
Purity
99.99
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC(C1=CC=CC(O)=C1)=O
Molecular Formula
C8H8O2
Molecular Weight
136.15
Precautions
H315, H319, H402
References & Citations
[1]Katharine Moore Tibbetts, et al. Controlling dissociation of alkyl phenyl ketone radical cations in the strong-field regime through hydroxyl substitution position. J Phys Chem A. 2014 Sep 18;118 (37) :8170-6.|[2]Kiwon Han, et al. Chemoenzymatic synthesis of rivastigmine via dynamic kinetic resolution as a key step. J Org Chem. 2010 May 7;75 (9) :3105-8.|[3]Curir P, et al. 3-Hydroxyacetophenone in carnations is a phytoanticipin active against Fusarium oxysporum f. sp. dianthi. Phytochemistry, 1996, 41 (2) : 447-450.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

3-Hydroxyacetophenone

structure in first source

CAS Number121-71-1
PubChem CID8487
IUPAC Name1-(3-hydroxyphenyl)ethanone
Molecular FormulaC8H8O2
Molecular Weight136.15
XLogP1.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity131
SMILES
CC(=O)C1=CC(=CC=C1)O
InChI
InChI=1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3
InChIKey
LUJMEECXHPYQOF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxyacetophenone
CAS: 121-71-1
CID: 8487
Formula: C8H8O2
MW: 136.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.15
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass136.052429494
Monoisotopic Mass136.052429494
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity131
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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