2-Ethylanthracene
Basic information
- CAS
52251-71-5- Standard SMILES
CCc1ccc2cc3ccccc3cc2c1- InChIKey
ZXAGXLDEMUNQSH-UHFFFAOYSA-N- Molecular formula
- C16H14
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.10955045
Names & identifiers
- Preferred name
- 2-Ethylanthracene
- IUPAC
- 2-ethylanthracene
- English name
- 2-Ethylanthracene
- Molecular formula
- C16H14
- Molecular weight
- 206.28
Names & synonyms
2-Ethylanthracene52251-71-5Anthracene, 2-ethyl-EINECS 257-788-6ZXAGXLDEMUNQSH-UHFFFAOYSA-DTXSID40200289RefChem:86942DTXCID90122780257-788-6InChI=1/C16H14/c1-2-12-7-8-15-10-13-5-3-4-6-14(13)11-16(15)9-12/h3-11H,2H2,1H3ZXAGXLDEMUNQSH-UHFFFAOYSA-NMFCD00003584
Show more names
ANTHRACENE,2-ETHYL-2-Ethylanthracene 98%2-Ethylanthracene in isooctane
2-Ethylanthracene, 98%BIDD:GT0589AKOS015912808AS-76507F19708AMY20779FT-0640057SCHEMBL40950
Database identifiers
- CAS
52251-71-5- PubChem CID
- 40300
- DTXSID
DTXSID40200289- UNII
- 25E7JMN54T
- EC Number
- 257-788-6
- Nikkaji
- J101.675J
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Experimental & physicochemical properties
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
LogP5.85
Vapor Pressure0.0000212 [mmHg]
Physical DescriptionYellow to brown powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 152 · 152-153 °C(lit.)
- Boiling point
- 364.3 · 364.3±9.0 °C(Predicted)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- Henry's Law Constant
- 1.9 · 1.9×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- InChI
- InChI=1S/C16H14/c1-2-12-7-8-15-10-13-5-3-4-6-14(13)11-16(15)9-12/h3-11H,2H2,1H3
- InChIKey
- ZXAGXLDEMUNQSH-UHFFFAOYSA-N
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 7.1% (3 of 42) of reports.
Danger
H318 (92.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Anthracene and POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and CategoriesEye Dam. 1 (92.9%)
Safety data
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 41-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS09
- hazard_code
- Xi,N
- safety_code
- 26-39-60-61
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H318-H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1
- Precautionary statements
- P273-P280-P305+P351+P338-P501
Chemistry & industry
Applications
Uses2-Ethylanthracene was used as photosensitizer during the photodissociation of p-nitrobenzyl esters of alkylsulphonic acids. It was used in the synthesis of thioxanthone-2-ethyl anthracene.
General DescriptionPhotophysics and photochemistry of 2-ethylanthracene (2EA) adsorbed on silica has been studied at a silica/air interface.
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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