Ethoxydiphenylacetic acid
Basic information
- CAS
7495-45-6- Standard SMILES
CCOC(C(=O)O)(c1ccccc1)c1ccccc1- InChIKey
SEUTWLXKEMEBTR-UHFFFAOYSA-N- Molecular formula
- C16H16O3
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.10994437
Names & identifiers
- Preferred name
- Ethoxydiphenylacetic acid
- IUPAC
- 2-ethoxy-2,2-diphenylacetic acid
- English name
- diphenylethoxy-aceticaci
- Molecular formula
- C16H16O3
- Molecular weight
- 256.29644
Names & synonyms
7495-45-62-Ethoxy-2,2-diphenylacetic acidACETIC ACID, DIPHENYLETHOXY-Ethoxydiphenylacetic acidAcide diphenylethoxyacetiqueSR6BEH5SVNAcide diphenylethoxyacetique [French]Acetic acid, ethoxydiphenyl-NSC 407713BRN 2698239alpha-Ethoxy-alpha-phenylbenzeneacetic acidBenzeneacetic acid, alpha-ethoxy-alpha-phenyl-
Show more names
diphenylethoxy-aceticaciacidediphenylethoxyacetiqueBenzeneacetic acid, α-ethoxy-α-phenyl-alpha-ethoxy-alpha-phenylbenzeneaceticacidalpha-ethoxy-alpha-phenyl-benzeneaceticaciethoxy(diphenyl)acetic acid(SALTDATA: FREE)
NSC-407713DTXSID20225915Benzeneacetic acid, .alpha.-ethoxy-.alpha.-phenyl-.ALPHA.-ETHOXY-.ALPHA.-PHENYLBENZENEACETIC ACIDRefChem:592722DTXCID50148406Benzeneacetic acid, alpha-ethoxy-alpha-phenyl-(9CI)837-868-2
Database identifiers
- CAS
7495-45-6- PubChem CID
- 24119
- DTXSID
DTXSID20225915- UNII
- SR6BEH5SVN
- EC Number
- 837-868-2
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Melting point
- 114.5 °C · 114.5°C
- Boiling point
- 359.54 °C · 359.54°C (rough estimate)
- Density
- 1.132 · 1.1320 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- solubility
- soluble in Dichloromethane; IPA
- form
- Solid
- pka
- 3.11 · 3.11±0.10(Predicted)
- color
- White
- FDA UNII
- 6 BEH5SVN · SR6BEH5SVN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses2-Ethoxy-2,2-diphenylacetic Acid is an intermediate in synthesizing Estocin (E668500), an opioid analgesic and is closely related to Benactyzine Hydrochloride (B119600).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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