6-Ethyl-1,2,3,4-tetrahydroanthroquinone
Basic information
- CAS
15547-17-8- Standard SMILES
CCc1ccc2c(c1)C(=O)C1=C(CCCC1)C2=O- InChIKey
PXLXSNXYTNRKFR-UHFFFAOYSA-N- Molecular formula
- C16H16O2
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.11502975
Names & identifiers
- Preferred name
- 6-Ethyl-1,2,3,4-tetrahydroanthroquinone
- IUPAC
- 6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione
- English name
- 6-ethyl-1,2,3,4-tetrahydroanthraquinone
- Molecular formula
- C16H16O2
- Molecular weight
- 240.3
Names & synonyms
15547-17-86-Ethyl-1,2,3,4-tetrahydroanthraquinoneTetrahydro-2-ethylanthraquinoneUSAF SO-22-Ethyl-5,6,7,8-tetrahydroanthraquinone6-Ethyl-1,2,3,4-tetrahydroanthroquinoneBRN 2526139EINECS 239-600-46Z0U5SRU0H9,10-Anthracenedione, 6-ethyl-1,2,3,4-tetrahydro-2-ethyl-5,6,7,8-tetrahydro-9,10-anthraquinoneAnthraquinone, 6-ethyl-1,2,3,4-tetrahydro-
Show more names
2-ethyl-5,6,7,8-tetrahydro-9,10-anthrahydroquinoneTetrahydro-2-Ethyl anthracene6-Ethyl-1,2,3,4-tetrahydro-9,10-anthracenedione2-Ethyl-5,6,7,8-tetrahydroanthracene-9,10-dione9,10-Anthracenedione,6-ethyl-1,2,3,4-tetrahydro-
4-07-00-02483 (Beilstein Handbook Reference)ANTHRAQUINONE, 2-ETHYL-5,6,7,8-TETRAHYDRO-DTXSID8051750RefChem:542973DTXCID7030305239-600-46-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione6-ETHYL-1,2,3,4,9,10-HEXAHYDROANTHRACENE-9,10-DIONE
Database identifiers
- CAS
15547-17-8- PubChem CID
- 27376
- DTXSID
DTXSID8051750- UNII
- 6Z0U5SRU0H
- EC Number
- 239-600-4
- Nikkaji
- J20.896E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 419
Physicochemical properties
- Boiling point
- 343.02 °C · 343.02°C (rough estimate)
- Density
- 1.0752 · 1.0752 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- InChI
- InChI=1S/C16H16O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h7-9H,2-6H2,1H3
- InChIKey
- PXLXSNXYTNRKFR-UHFFFAOYSA-N
- SMILES
- C1C2=C(C(=O)C3=C(C2=O)C=CC(CC)=C3)CCC1
- FDA UNII
- 6 Z0U5SRU0H · 6Z0U5SRU0H
- EPA Substance Registry System
- 6 · 6-Ethyl-1,2,3,4-tetrahydroanthraquinone (15547-17-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P302+P352-P305+P351+P338
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 6-ethyl-1,2,3,4-tetrahydro-: INACTIVE
Suppliers
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Related reactions
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Compound notes
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