2-Methoxy-1-(2,4,6-trihydroxyphenyl)ethanone

HCID 643400
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Basic information

CAS
55317-02-7
Standard SMILES
COCC(=O)c1c(O)cc(O)cc1O
InChIKey
FYRXXSCCOWRCLX-UHFFFAOYSA-N
Molecular formula
C9H10O5
Average molar mass
198.17 g/mol
Monoisotopic mass
198.05282342

Names & identifiers

Preferred name
2-Methoxy-1-(2,4,6-trihydroxyphenyl)ethanone
IUPAC
2-methoxy-1-(2,4,6-trihydroxyphenyl)ethanone
English name
2-Methoxy-1-(2,4,6-trihydroxyphenyl)ethanone
Molecular formula
C9H10O5
Molecular weight
198.17

Names & synonyms

2-methoxy-1-(2,4,6-trihydroxyphenyl)ethanone55317-02-7ethanone, 2-methoxy-1-(2,4,6-trihydroxyphenyl)-DTXSID30349171RefChem:262421DTXCID90300243InChI=1/C9H10O5/c1-14-4-8(13)9-6(11)2-5(10)3-7(9)12/h2-3,10-12H,4H2,1H2-methoxy-1-(2,4,6-trihydroxyphenyl)ethan-1-oneMFCD037889462',4',6'-trihydroxy-2-methoxyacetophenoneSCHEMBL1861257FYRXXSCCOWRCLX-UHFFFAOYSA-N
Show more names
A-METHOXYPHLOROACETOPHENONEALPHA-METHOXYPHLOROACETOPHENONE
SBB092267AKOS006277284ST095208WS-02545alpha-Methoxyphloroacetophenone, AldrichCPR2-Methoxy-1-(246-trihydroxyphenyl)ethanone2-Methoxy-2',4',6'-trihydroxyacetophenoneCS-0436810

Database identifiers

CAS
55317-02-7
PubChem CID
643400
DTXSID
DTXSID30349171
EC Number
107-207-6
Nikkaji
J1.463.092I

Properties

Computed structural properties

XLogP
1
Topological polar surface area
87 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
14

Physicochemical properties

Melting point
195 · 195–196°C
form
solid
InChI
1S/C9H10O5/c1-14-4-8(13)9-6(11)2-5(10)3-7(9)12/h2-3,10-12H,4H2,1H3
InChIKey
FYRXXSCCOWRCLX-UHFFFAOYSA-N
SMILES
COCC(=O)c1c(O)cc(O)cc1O
UNSPSC Code
12352200 · 12352200

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

risk_code
36
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26
Storage Class
11 - Combustible Solids
Hazard statements
H302-H319

Chemistry & industry

Preparation methods

PreparationPreparation by reaction of methoxyacetonitrile with phloro-glucinol (Hoesch reaction).

Upstream & downstream products

Upstream raw materials

Suppliers12 total

江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广州康瑞泰药业有限公司020-82185713,82185709 13418171485 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
连云港康诚生物科技有限公司18151258299 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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