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Product Name:
2,4-Dihydroxyacetophenone
Formula:
C8H8O3
Synonyms:
1-Acetyl-2,4-dihydroxybenzene;4-Acetylresorcinol;Resacetophenone
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CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid; [Merck Index] Yellow or gold powder; [Alfa Aesar MSDS] |
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Melting Point | 147 °C |
Collision Cross Section | 127.2 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)] |
Chemical Classes | Other Classes -> Aromatic Ketones |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H319:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
Molecular Weight | 152.15 g/mol |
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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 Ų |
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 |
PRODUCT INTRODUCTION
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.
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