Maclurin
Basic information
- CAS
519-34-6- Standard SMILES
O=C(c1ccc(O)c(O)c1)c1c(O)cc(O)cc1O- InChIKey
XNWPXDGRBWJIES-UHFFFAOYSA-N- Molecular formula
- C13H10O6
- Average molar mass
- 262.21 g/mol
- Monoisotopic mass
- 262.04773803
Overview
Maclurin is a member of benzophenones.
Names & identifiers
- Preferred name
- Maclurin
- IUPAC
- (3,4-dihydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
- English name
- 2,3',4,4',6-Pentahydroxybenzophenone
- Molecular formula
- C13H10O6
- Molecular weight
- 262.21
Names & synonyms
Maclurin519-34-6LaguncurinMoritannic acidKino-yellow2,3',4,4',6-PentahydroxybenzophenoneMorintannic acid(3,4-Dihydroxyphenyl)(2,4,6-trihydroxyphenyl)methanoneMaclura pomifera lectin(3,4-dihydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone27KFF3PMTUC.I. 75240
Show more names
MacurinMaclurineMACLURIN(P)Patent Fustinnatural yellow 11C.I. Natural Yellow 11Maclurin, 10 mM in DMSO
Methanone, (3,4-dihydroxyphenyl)(2,4,6-trihydroxyphenyl)-NSC-83240DTXSID80601632-((3,4-dihydroxyphenyl)carbonyl)benzene-1,3,5-triol2-[(3,4-dihydroxyphenyl)carbonyl]benzene-1,3,5-triolRefChem:154955DTXCID7041097208-268-2
Database identifiers
- CAS
519-34-6- PubChem CID
- 68213
- DTXSID
DTXSID8060163- ChEMBL
CHEMBL506731- ChEBI
CHEBI:6624- UNII
- 27KFF3PMTU
- EC Number
- 208-268-2
- Nikkaji
- J182.278K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Experimental & physicochemical properties
Solubility5 mg/mL at 14 °C
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point222 - 222.5 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 222 °C · 222°C
- Boiling point
- 325.46 °C · 325.46°C (rough estimate)
- Density
- 1.2831 · 1.2831 (rough estimate)
- refractive index
- 1.458 · 1.4580 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- powder
- pka
- 6.75 · 6.75±0.40(Predicted)
- color
- Yellow
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H400
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
General Manufacturing InformationMethanone, (3,4-dihydroxyphenyl)(2,4,6-trihydroxyphenyl)-: ACTIVE
Applications
Uses2,3'',4,4'',6-Pentahydroxybenzophenone is a UV absorber.
UsesDyeing fabrics.
Preparation methods
PreparationPreparation by reaction of 3,4-dihydroxybenzonitrile with phloroglucinol in the presence of zinc chloride and hydrochloric acid in ethyl ether (Hoesch reaction), first at r.t. for 1 h, then at 50–60° for 4 h (37%).
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Maclurin is a member of benzophenones.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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