Gallacetophenone

HCID 10706
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Basic information

CAS
29477-54-1
Standard SMILES
CC(=O)c1ccc(O)c(O)c1O
InChIKey
XIROXSOOOAZHLL-UHFFFAOYSA-N
Molecular formula
C8H8O4
Average molar mass
168.15 g/mol
Monoisotopic mass
168.04225874

Overview

2',3',4'-Trihydroxyacetophenone is an aromatic ketone.

Names & identifiers

Preferred name
Gallacetophenone
IUPAC
1-(2,3,4-trihydroxyphenyl)ethanone
English name
2',3',4'-Trihydroxyacetophenone
Molecular formula
C8H8O4
Molecular weight
168.15

Names & synonyms

Gallacetophenone528-21-21-(2,3,4-Trihydroxyphenyl)ethanone2',3',4'-TRIHYDROXYACETOPHENONEAlizarine Yellow CEthanone, 1-(2,3,4-trihydroxyphenyl)-C.I. 57000C70E921C4PNSC-66553DTXSID2060179RefChem:634081DTXCID3041297
Show more names
TrihydroxyacetophenoneEUGALLOLc.i.57000GALANTHAMINEalizarinyellowc
208-430-22,3,4-TrihydroxyacetophenoneAlizarin Yellow CGalloacetophenone4-AcetylpyrogallolMFCD000021931-(2,3,4-Trihydroxyphenyl)ethan-1-oneNSC 66553

Database identifiers

CAS
29477-54-1、528-21-2
PubChem CID
10706
DTXSID
DTXSID2060179
ChEMBL
CHEMBL242540
ChEBI
CHEBI:193439
UNII
C70E921C4P
EC Number
208-430-2
Nikkaji
J6.673G

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
77.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
12

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift
Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
169 · 169-172 °C(lit.)
Boiling point
257.07 °C · 257.07°C (rough estimate)
Density
1.3037 · 1.3037 (rough estimate)
refractive index
1.509 · 1.5090 (estimate)
storage temp.
2 · Storage temp. 2-8°C
pka
7.81 · 7.81±0.23(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
rtecs
AN0527000
hs_code
29145090
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 1-(2,3,4-trihydroxyphenyl)-: INACTIVE

Applications

Uses2,3,4-Trihydroxyacetophenone is used as a reagent in the synthesis of chromenone and quinolinone derivatives as potent antioxidant agents.

UsesAntiseptic.

Preparation methods

PreparationPreparation by Fries rearrangement of pyrogallol triacetate with aluminium chloride without solvent.

Upstream & downstream products

Suppliers100 total

上海康恩博医药科技有限公司17510465506 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Additional notes

DefinitionChEBI: 2',3',4'-Trihydroxyacetophenone is an aromatic ketone.

Related reactions

16 records
New reaction record

Compound notes

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