Basic information
- CAS
5438-38-0- Standard SMILES
CCOc1cc(C(=O)O)ccc1O- InChIKey
QFDSMZGWVHEDHT-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Names & identifiers
- Preferred name
- 3-Ethoxy-4-hydroxybenzoic acid
- IUPAC
- 3-ethoxy-4-hydroxybenzoic acid
- English name
- 3-ethoxy-4-hydroxybenzoic acid
- Molecular formula
- C9H10O4
- Molecular weight
- 182.17
Names & synonyms
3-Ethoxy-4-hydroxybenzoic acid5438-38-0Benzoic acid, 3-ethoxy-4-hydroxy-RA38VF9XH9NSC-166813-Ethoxy-p-hydroxybenzoic acidDTXSID70202751RefChem:93783DTXCID001252423-Ethoxy-4-hydroxy-benzoic acidMFCD06203134NSC16681
Show more names
NSC 16681UNII-RA38VF9XH93-ethoxy-4-hydroxybenzoicaci3-Ethoxy-4-hydroxybenzoicacid3-ethoxy-hydroxy benzoic acidSCHEMBL384608SCHEMBL27683536SCHEMBL30597482
Database identifiers
- CAS
5438-38-0- PubChem CID
- 95085
- DTXSID
DTXSID70202751- UNII
- RA38VF9XH9
- EC Number
- 192-224-1
- Nikkaji
- J1.441.457F
Properties
Computed structural properties
- XLogP
- 1.8
- 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
- 164 · 164-165 °C
- Boiling point
- 359.8 · 359.8±27.0 °C(Predicted)
- Density
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- pka
- 4.47 · 4.47±0.10(Predicted)
- FDA UNII
- 38 VF9XH9 · RA38VF9XH9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P362+P364
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P362+P364
Chemistry & industry
Suppliers18 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
赛纳斯特化学（欢迎点击联系）021-60343070
上海源叶生物科技有限公司18916372613 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司
Related reactions
4 records
Compound notes
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