3',5'-二甲氧基-4'-羟基苯乙酮

Description

3',5'-Dimethoxy-4'-hydroxyacetophenone · CAS 2478-38-8 · C10H12O4. UNII 866P45Y84S.

Identification

CAS Registry Number	2478-38-8
PubChem CID	17198
Molecular formula	C10H12O4
IUPAC name	1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
UNII (FDA)	866P45Y84S

Computed Descriptors

Molecular Weight	196.20
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	196.07355886
Monoisotopic Mass	196.07355886
Topological Polar Surface Area	55.8
Heavy Atom Count	14
Formal Charge	0

Physical description & handling notes

• White to brown solid; [Sigma-Aldrich MSDS]
• 138.14 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 137.16 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 156.36 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 147.79 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances Flavoring Agents

GHS Hazard Classification

Reported hazard statements	H315 (100%), H319 (100%), H335 (98%)

Documented Uses

• A flavoring agent that naturally occurs in pork and sherry; [EFSA]
• Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
• Drugs that are used to treat asthma.

Synonyms

Acetosyringone; 2478-38-8; 1-(4-Hydroxy-3,5-dimethoxyphenyl)ethanone; 4'-HYDROXY-3',5'-DIMETHOXYACETOPHENONE; Acetosyringenin; 1-(4-hydroxy-3,5-dimethoxyphenyl)ethan-1-one; 866P45Y84S; CHEBI:2404; DTXSID2062454; RefChem:552431; DTXCID1037147; 219-610-5; 3',5'-Dimethoxy-4'-hydroxyacetophenone; Ethanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-; Acetosyringon; 3,5-Dimethoxy-4-hydroxyacetophenone

Frequently Asked Questions

What are the CAS number and molecular formula of 3',5'-Dimethoxy-4'-hydroxyacetophenone?

CAS 2478-38-8; molecular formula C10H12O4; molecular weight — g/mol.

What other names is 3',5'-Dimethoxy-4'-hydroxyacetophenone known by?

Acetosyringone, 2478-38-8, 1-(4-Hydroxy-3,5-dimethoxyphenyl)ethanone, 4'-HYDROXY-3',5'-DIMETHOXYACETOPHENONE, Acetosyringenin, 1-(4-hydroxy-3,5-dimethoxyphenyl)ethan-1-one.

What is the regulatory status of 3',5'-Dimethoxy-4'-hydroxyacetophenone?

Documented regulatory listings: EU Flavoring substances; Flavoring Agents.

Is 3',5'-Dimethoxy-4'-hydroxyacetophenone classified as hazardous?

Hazard statements reported: H315, H319, H335.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.