2',4',6'-Trihydroxyacetophenone
Also known as 1-(2,4,6-Trihydroxyphenyl)ethanone, Phloroacetophenone, 2,4,6-Trihydroxyacetophenone
Key facts
What buyers check first
- CAS number
- 480-66-0
- Formula
- C8H8O4
- Molar mass
- 168.15 g/mol
- EC number
- 207-556-5
- HS code
- 291450
- Category
- Chromatography and spectroscopy reagents
What is 2',4',6'-Trihydroxyacetophenone?
Plain description, key identifiers and synonyms
2',4',6'-trihydroxyacetophenone is a benzenetriol that is acetophenone in which the hydrogens at positions 2, 4, and 6 on the phenyl group are replaced by hydroxy groups. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of acidic glycans and glycopeptides. It has a role as a MALDI matrix material and a plant metabolite. It is a benzenetriol, a methyl ketone and an aromatic ketone.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 1-(2,4,6-trihydroxyphenyl)ethanone
- CAS number
- 480-66-0 CAS number cross-checked
- EC number
- 207-556-5
- Molecular formula
- C8H8O4
- UNII
- 8L7XD8830T
- MDL number
- MFCD00002287
- InChIKey
- XLEYFDVVXLMULC-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3
- SMILES (canonical and isomeric)
- CC(=O)C1=C(C=C(C=C1O)O)O
Synonyms
- 1-(2,4,6-Trihydroxyphenyl)ethanone
- Phloroacetophenone
- 2,4,6-Trihydroxyacetophenone
- Acetophloroglucine
- Acetylphloroglucinol
- 2-Acetylphloroglucinol
- Ethanone, 1-(2,4,6-trihydroxyphenyl)-
- 1-(2,4,6-Trihydroxyphenyl)ethan-1-one
- 2,4,6-trihydroxy-acetophenone
- 1-(2,4,6-trihydroxyphenyl]ethanone
- 2,4,6-THA
- Phloracetophenone
- monoacetylphloroglucinol
- THAP
- Phloracetophene
- Acetophenone, 2',4',6'-trihydroxy-
- 1-(2,4,6-trihydroxy-phenyl)-ethanone
- 2-Acetylphloroglucinol monohydrate
- 1-[2,4,6-tris(oxidanyl)phenyl]ethanone
- 1-(2,4,6-Trihydroxyphenyl)-ethanone
- 1-acetyl-2,4,6-trihydroxybenzene
- 2,4,6-trihydroxy acetophenone
- Acetophloroglucinol
- 4-mono-hydroxy-acetophenone
- monoacetylph
Show all 36 synonymsShow fewer synonyms
- 2,4,-dihydroxy-acetophenone
- 2',4',6'-Trihydroxy-Acetophenone
- Phloroacetophenone monohydrate
- 2\',4\',6\'-Trihydroxyacetophenone
- 2',6'-Trihydroxyacetophenone
- 2-Acetyl-1,3,5-benzenetriol
- 2, 4, 6-trihydroxyacetophenone
- Acetophenone,4',6'-trihydroxy-
- ACon1_001026
- Ethanone,4,6-trihydroxyphenyl)-
- 1-(2,6-Trihydroxyphenyl)ethanone
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 168.15 g/molcalc.Computed value |
|---|---|
| Exact mass | 168.0423 Dacalc.Computed value |
| LogP (octanol/water) | 1.01calc.Computed value |
| Topological polar surface area | 77.76 Ųcalc.Computed value |
| Hydrogen bond donors | 3calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 12calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.13calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H315Causes skin irritation.
- H319Causes serious eye irritation.
- H335May cause respiratory irritation.
Precautionary statements (16)
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P271Use only outdoors or in a well-ventilated area.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P302 + P352If on skin: Wash with plenty of water.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P319Get medical help if you feel unwell.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P332 + P317If skin irritation occurs: Get medical help.
- P337 + P317If eye irritation persists: Get medical help.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aid2',4',6'-Trihydroxyacetophenone suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- United StatesUnclaimed profile2',4',6'-TrihydroxyacetophenoneGrade, purity and minimum order on requestPrice on request
- China, ChangzhouUnclaimed profilePhloroacetophenoneGrade, purity and minimum order on requestPrice on request
- China, KowloonUnclaimed profile2',4',6'-TrihydroxyacetophenoneGrade, purity and minimum order on requestPrice on request
- Singapore, SingaporeUnclaimed profile2',4',6'-TrihydroxyacetophenoneGrade, purity and minimum order on requestPrice on request
- Hong Kong, Hong KongUnclaimed profile2',4',6'-TrihydroxyacetophenoneGrade, purity and minimum order on requestPrice on request
- China, WuhanUnclaimed profile2',4',6'-TrihydroxyacetophenoneGrade, purity and minimum order on requestPrice on request
- Australia, SmithfieldUnclaimed profile2',4',6'-TrihydroxyacetophenoneGrade, purity and minimum order on requestPrice on request
- China, WuhanUnclaimed profile2',4',6'-TrihydroxyacetophenoneGrade, purity and minimum order on requestPrice on request
- Japan, TokyoUnclaimed profile2',4',6'-TrihydroxyacetophenoneGrade, purity and minimum order on requestPrice on request
- China, ShanghaiUnclaimed profile2',4',6'-TrihydroxyacetophenoneGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
19 suppliers in 8 countries
- China7
- United States4
- Hong Kong2
- Ukraine2
- Australia1
- Japan1
- and 2 more countries
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2',4',6'-Trihydroxyacetophenone price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Roles
- MALDI matrix material
- eukaryotic metabolite
- metabolite
- plant metabolite
Regulatory status
Inventories, regulations and trade controls that list this substance
United States
- TSCA inventory (USA)Status: Active in US commerce
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code 2',4',6'-Trihydroxyacetophenone is traded under.
Ketone-phenols and ketones with other oxygen function
- China50.5%
- India * partner reported11.6%
- United States11.3%
- United States20.8%
- Germany10.0%
- Netherlands8.6%
* Partner reported figures, a lower bound.
The HS code shown for 2',4',6'-Trihydroxyacetophenone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about 2',4',6'-Trihydroxyacetophenone, based on the data on this page
What is 2',4',6'-Trihydroxyacetophenone?
What is the CAS number of 2',4',6'-Trihydroxyacetophenone?
What is the molecular formula and weight of 2',4',6'-Trihydroxyacetophenone?
What is 2',4',6'-Trihydroxyacetophenone used for?
Is 2',4',6'-Trihydroxyacetophenone hazardous?
What is the HS code of 2',4',6'-Trihydroxyacetophenone?
Where can I buy 2',4',6'-Trihydroxyacetophenone?
What is the price of 2',4',6'-Trihydroxyacetophenone?
Guides for buyers
Practical guides that help when you source, ship or handle 2',4',6'-Trihydroxyacetophenone
- Article, QualityWhat a certificate of analysis should containThe parts of a complete COA, how to read it against your specification, the warning signs of a weak or copied certificate and how to verify results.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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