2-tert-Amylanthraquinone
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Basic information
- CAS
32588-54-8- Standard SMILES
CCC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1C2=O- InChIKey
WUKWGUZTPMOXOW-UHFFFAOYSA-N- Molecular formula
- C19H18O2
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.13067981
Names & identifiers
- Preferred name
- 2-tert-Amylanthraquinone
- IUPAC
- 2-(2-methylbutan-2-yl)anthracene-9,10-dione
- English name
- 2-(1,1-Dimethylpropyl)anthraquinone
- Molecular formula
- C19H18O2
- Molecular weight
- 278.35
Names & synonyms
32588-54-82-tert-Amylanthraquinone2-tert-Pentylanthraquinone2-(2-methylbutan-2-yl)anthracene-9,10-dioneAnthraquinone, 2-tert-pentyl-PWR6GZ7DFW9,10-Anthracenedione, 2-(1,1-dimethylpropyl)-EINECS 251-116-5DTXSID8044917RefChem:483574DTXCID60249172-(1,1-Dimethylpropyl)anthraquinone
Show more names
2-(1,1-dimethylpropyl2-tert-pentyl anthrone2-tert-amyl-9,10-anthraquinone2-(1,1-Dimethylpropyl)-9,10-anthraquinone2-(1,1-dimethylpropyl)-10-anthracenedione10-Anthracenedione,2-(1,1-dimethylpropyl)-9
2-(tert-Pentyl)anthracene-9,10-dione2-(1,1-Dimethyl-propyl)-anthraquinoneUNII-PWR6GZ7DFW2-t-amylanthraquinoneMLS000561775SCHEMBL187755CHEMBL1412015SCHEMBL29482674
Database identifiers
- CAS
32588-54-8- PubChem CID
- 122909
- DTXSID
DTXSID8044917- ChEMBL
CHEMBL1412015- UNII
- PWR6GZ7DFW
- EC Number
- 251-116-5
- Nikkaji
- J319.404C
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 437
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- 60 · 60-65°C
- Boiling point
- 245 · 245-273 °C
- Density
- 0.82 g/cm3 · 0.82 g/cm3
- Flash point
- 222 °C · 222°C
- storage temp.
- Sealed in dry,Room Temperature
- InChI
- InChI=1S/C19H18O2/c1-4-19(2,3)12-9-10-15-16(11-12)18(21)14-8-6-5-7-13(14)17(15)20/h5-11H,4H2,1-3H3
- InChIKey
- WUKWGUZTPMOXOW-UHFFFAOYSA-N
- SMILES
- C1=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1C(C)(C)CC
- CAS DataBase Reference
- 32588 · 32588-54-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 GZ7DFW · PWR6GZ7DFW
- EPA Substance Registry System
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: 9,10-Anthracenedione, 2-(1,1-dimethylpropyl)-
9,10-Anthracenedione, 2-(1,1-dimethylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9,10-Anthracenedione, 2-(1,1-dimethylpropyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
9,10-Anthracenedione, 2-(1,1-dimethylpropyl)-: ACTIVE
Applications
Uses2-(1,1-Dimethylpropyl)anthraquinone is used as an organic synthesis intermediate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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