Basic information
- CAS
4295-51-6- Standard SMILES
CCc1cccc(C(=O)O)c1O- InChIKey
ZTGYRAPTDJTYGC-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Names & identifiers
- Preferred name
- 3-Ethyl-2-hydroxybenzoic acid
- IUPAC
- 3-ethyl-2-hydroxybenzoic acid
- English name
- 3-ethyl-2-hydroxybenzoic acid
- Molecular formula
- C9H10O3
- Molecular weight
- 166.17
Names & synonyms
3-ethyl-2-hydroxybenzoic acid4295-51-6DTXSID00324990RefChem:279135DTXCID00276107867-668-03-ethylsalicylic acidNSC408142SCHEMBL396233-ethyl-2-hydroxybenzoicacidSCHEMBL7406801SCHEMBL29695710
Show more names
Benzoic acid, 3-ethyl-2-hydroxy-
ZTGYRAPTDJTYGC-UHFFFAOYSA-NMFCD11203612AKOS009278237MB09458NSC-408142EN300-44121G44900Z367679250
Database identifiers
- CAS
4295-51-6- PubChem CID
- 348692
- DTXSID
DTXSID00324990- EC Number
- 867-668-0
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 112 · 112-112.5 °C
- Boiling point
- 304.3 · 304.3±35.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- pka
- 3.05 · 3.05±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses3-Ethylsalicylic Acid is a useful research chemical used in the preparation of 5-sulfamoyl-2-hydroxybenzamide derivatives as CD73 inhibitors for the treatment of diseases.
Suppliers5 total
安徽合诺生物科技有限公司0555-2761852
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
天津佶品佳化工科技有限公司18622448868 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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