5-Ethoxysalicylic acid
Basic information
- CAS
14160-71-5- Standard SMILES
CCOc1ccc(O)c(C(=O)O)c1- InChIKey
ZZKFPIOJAOEMQL-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Names & identifiers
- Preferred name
- 5-Ethoxysalicylic acid
- IUPAC
- 5-ethoxy-2-hydroxybenzoic acid
- English name
- 5-Ethoxysalicylic acid
- Molecular formula
- C9H10O4
- Molecular weight
- 182.17
Names & synonyms
5-Ethoxysalicylic acid14160-71-5EINECS 238-004-1DTXSID10161777RefChem:102530DTXCID6084268238-004-15-ethoxy-2-hydroxybenzoic acidBenzoic acid, 5-ethoxy-2-hydroxy-SCHEMBL538877SCHEMBL8677505SCHEMBL29670829
Show more names
5-ethoxy-2-hydroxy-benzoic acidZZKFPIOJAOEMQL-UHFFFAOYSA-NAKOS005061872FE70653AS-76338DB-063386CS-0151480NS00024590
Database identifiers
- CAS
14160-71-5- PubChem CID
- 84229
- DTXSID
DTXSID10161777- EC Number
- 238-004-1
- Nikkaji
- J216.888J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Melting point
- 159 · 159-163 °C(lit.)
- Boiling point
- 354.1 · 354.1±27.0 °C(Predicted)
- Density
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.04 · 3.04±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…