4-Ethoxystyrene
Basic information
- CAS
5459-40-5- Standard SMILES
C=Cc1ccc(OCC)cc1- InChIKey
OBRYRJYZWVLVLF-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Names & identifiers
- Preferred name
- 4-Ethoxystyrene
- IUPAC
- 1-ethenyl-4-ethoxybenzene
- English name
- 4-Ethoxystyrene
- Molecular formula
- C10H12O
- Molecular weight
- 148.2
Names & synonyms
4-Ethoxystyrene1-Ethoxy-4-vinylbenzenep-VinylphenetoleBenzene, 1-ethenyl-4-ethoxy-XML26X6K54EINECS 226-729-6NSC 24179NSC-24179DTXSID10203020RefChem:522695DTXCID10125511226-729-6
Show more names
Ethoxystyrene4-VINYLPHENETOLE4-Ethoxystyrene,97%4-ETHOXYSTYRENE, TECH., 90%4-Ethoxystyrene, stabilized
5459-40-51-ethenyl-4-ethoxybenzenep-EthoxystyreneMFCD00009097SCHEMBL181498AKOS0091569814-Ethoxystyrene, technical grade, 90%CS-0204512
Database identifiers
- CAS
5459-40-5- PubChem CID
- 79570
- DTXSID
DTXSID10203020- UNII
- XML26X6K54
- EC Number
- 226-729-6
- Nikkaji
- J43.380B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 112
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 99 · 99-100 °C/11 mmHg (lit.)
- Density
- 0.99 g/mL · 0.99 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.549(lit.)
- Flash point
- 190 °F · 190 °F
- storage temp.
- 2 · 2-8°C
- Appearance
- Colorless to light yellow Liquid
- BRN
- 1935209 · 1935209
- InChI
- InChI=1S/C10H12O/c1-3-9-5-7-10(8-6-9)11-4-2/h3,5-8H,1,4H2,2H3
- InChIKey
- OBRYRJYZWVLVLF-UHFFFAOYSA-N
- SMILES
- C1(C=C)=CC=C(OCC)C=C1
- CAS DataBase Reference
- 5459 · 5459-40-5(CAS DataBase Reference)
- FDA UNII
- 26 X6K54 · XML26X6K54
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- hs_code
- 29093090
- risk_code
- 20/21/22-40-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227-H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P210e-P280a-P370+P378a-P403+P235-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
6 records
Compound notes
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