Basic information
- CAS
84-51-5- Standard SMILES
CCc1ccc2c(c1)C(=O)c1ccccc1C2=O- InChIKey
SJEBAWHUJDUKQK-UHFFFAOYSA-N- Molecular formula
- C16H12O2
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.08372962
Overview
2-ethylanthraquinone has been reported in Streptomyces with data available.
Names & identifiers
- Preferred name
- 2-Ethylanthraquinone
- IUPAC
- 2-ethylanthracene-9,10-dione
- English name
- 2-Ethylanthraquinone
- Molecular formula
- C16H12O2
- Molecular weight
- 236.27
Names & synonyms
2-Ethylanthraquinone84-51-52-Ethyl-9,10-anthraquinone9,10-Anthracenedione, 2-ethyl-Anthraquinone, 2-ethyl-USAF SO-1beta-EthylanthraquinoneDTXSID504499459YJ81QZKDEINECS 201-535-4BRN 19698732Ethylantrachinon
Show more names
2-EAQEthylanthraquinone2-Ethylanthracene-9,10-dionePhotoinitiator-2-EAQ2-ETHYL ANTHROQUINONE2-Ethya Anthraquinoneusafso-1
AI3-176142EthylanthrachinonNSC 7216.BETA.-ETHYLANTHRAQUINONENSC-7216EC 201-535-42Ethyl9,10anthracenedione4-07-00-02583 (Beilstein Handbook Reference)
Database identifiers
- CAS
84-51-5- PubChem CID
- 6772
- DTXSID
DTXSID5044994- ChEMBL
CHEMBL42355- UNII
- 59YJ81QZKD
- EC Number
- 201-535-4
- Nikkaji
Properties
Computed structural properties
- XLogP
- 4.4
- 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
- 360
Experimental & physicochemical properties
Chemical ClassesDyes -> Anthraquinone Dyes
LogP4.37
Vapor Pressure0.00000102 [mmHg]
Physical Description
Dry Powder; CBI
Yellow microcrystalline powder; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 108 · 108-111 °C (lit.)
- Boiling point
- 180 · 180-190°C
- Density
- 1.27 g/cm3 · 1.27 g/cm3 (21℃)
- bulk density
- 650 kg/m3 · 650kg/m3
- vapor pressure
- 1 hPa · <1 hPa (25 °C)
- refractive index
- 1.629 · 1.6290 (estimate)
- Flash point
- 210 °C · >210°C
- storage temp.
- 30 °C · Store below +30°C.
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 10.7% (14 of 131) of reports.
Danger
H350 (26%): May cause cancer [Danger Carcinogenicity]
P203, P260, P273, P280, P318, P319, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 131 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 9,10-Anthracenedione, 2-ethyl-
9,10-Anthracenedione, 2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9,10-Anthracenedione, 2-ethyl- 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)
REACH registered substance: 2-ethylanthraquinone (EC: 201-535-4)
9,10-Anthracenedione, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Prolonged or repeated oral exposure may cause damage to the hematological system and spleen; [ECHA REACH Registrations] Not a skin or eye irritant in rabbits; No mortalities in rats exposed to saturated atmosphere at 20 degrees C for 8 hours; [IUCLID] A 28-day oral study of rats produced decreased erythrocyte and hematocrit values, hemosiderosis in the spleen, and extramedullary hematopoiesis with NOEL's of less than 10 mg/kg/day for males and 10 mg/kg/day for females; [JECDB] May cause irritation; [Acros Organics MSDS] See 1-Amino-2-methylanthraquinone.
Hazard Classes and CategoriesCarc. 1B (26%)
Safety data
Chemistry & industry
Uses & manufacturing
Uses
Used in the chemical and paints-lacquers-varnishes industries; Used as a coloring agent, intermediate, and process regulator; [IUCLID] Used as a reactive processing aid in hydrogen peroxide production; [ECHA REACH Registrations]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
U.S. Production2023: 250,000 - <400,000 lb
Industry UsesCBI
General Manufacturing Information
CBI
9,10-Anthracenedione, 2-ethyl-: ACTIVE
Applications
Description2-Ethylanthraquinone is an organic compound that is a derivative of anthraquinone. It is commonly used in the industrial production of hydrogen peroxide (H2O2) due to its high selectivity. Another major application is the production of dyes2. It can also be used as a photo-initiator of crosslinking or degradation of polyethylene3.
UsesSynthesis, especially of hydrogen peroxide.
Uses2-Ethylanthraquinone can be used as a photoinitiator of crosslinking or degradation of polyethylene. It is used to produce hydrogen peroxide by hydrogenation with the help of Pd/polyaniline as the catalysts.
Upstream & downstream products
Upstream raw materials
Related reactions
4 records
Compound notes
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