p-Ethoxyacetophenone
Basic information
- CAS
1676-63-7- Standard SMILES
CCOc1ccc(C(C)=O)cc1- InChIKey
YJFNFQHMQJCPRG-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- p-Ethoxyacetophenone
- IUPAC
- 1-(4-ethoxyphenyl)ethanone
- English name
- 4′-Ethoxyacetophenone
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
4'-Ethoxyacetophenone1676-63-71-(4-Ethoxyphenyl)ethanonep-EthoxyacetophenoneEthanone, 1-(4-ethoxyphenyl)-1-(4-Ethoxyphenyl)ethan-1-oneAcetophenone, p-ethoxy-Acetophenone, 4'-ethoxy-EWR02SWC14NSC 403850EINECS 216-825-6NSC 406258
Show more names
4'ASISCHEM D29252AKOS BBS-00003273-Ethoxyacetophenone
NSC-403850NSC-406258AI3-01029RefChem:858064InChI=1/C10H12O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-7H,3H2,1-2H4-Ethoxyacetophenone4-AcetylphenetoleMFCD00009095
Database identifiers
- CAS
1676-63-7- PubChem CID
- 72872
- DTXSID
DTXSID5061873- ChEMBL
CHEMBL5290014- UNII
- EWR02SWC14
- EC Number
- 216-825-6
- Nikkaji
- J93.676F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 146
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 37 · 37-39 °C (lit.)
- Boiling point
- 268 · 268-269 °C/758 mmHg (lit.)
- Density
- 1.0326 · 1.0326 (rough estimate)
- refractive index
- 1.518 · 1.5180 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Water Solubility
- Soluble in alcohol, water(791.1 mg/L).
- BRN
- 636783 · 636783
- InChI
- InChI=1S/C10H12O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-7H,3H2,1-2H3
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Peroxide Forming Chemical
p-Ethoxyacetophenone
D: Other compounds that may form peroxides
Kelly
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29145090
- risk_code
- 36/37/38-26-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 26-37/39-45-36/37-28
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 1-(4-ethoxyphenyl)-: ACTIVE
Applications
Uses4'-Ethoxyacetophenone is used to produce 4-(4-ethoxy-phenyl)-thiazol-2-ylamine.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
3 records
Compound notes
Loading…