Basic information
- CAS
325793-65-5- Standard SMILES
CCO[C@@H](Cc1ccc(O)cc1)C(=O)O- InChIKey
FMJUDUJLTNVWCH-JTQLQIEISA-N- Molecular formula
- C11H14O4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.08920893
Names & identifiers
- Preferred name
- (2S)-2-Ethoxy-3-(4-hydroxyphenyl)propanoic acid
- IUPAC
- (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoic acid
- English name
- (S)-2-Ethoxy-3-(4-hydroxy-phenyl)-propionic acid
- Molecular formula
- C11H14O4
- Molecular weight
- 210.23
Names & synonyms
325793-65-5(2s)-2-ethoxy-3-(4-hydroxyphenyl)propanoic acidDTXSID70431569RefChem:206965DTXCID10382400(S)-2-Ethoxy-3-(4-hydroxy-phenyl)-propionic acid(S)-2-ethoxy-3-(4-hydroxyphenyl)propanoic acidMFCD06796579(s)-2-ethoxy-3-(4-hydroxyphenyl)propionic acid(S)-2-Ethoxy-3-(4-hydroxyphenyl)propanoicacidBenzenepropanoic acid, alpha-ethoxy-4-hydroxy-, (alphaS)-DSH92H5WWB
Show more names
Benzenepropanoic acid, α-ethoxy-4-hydroxy-, (αS)-Benzenepropanoic acid, .alpha.-ethoxy-4-hydroxy-, (.alpha.S)-(S)-2-Ethoxy-3-(4-hydroxy-phenyl)-propionic acid, CAS 325793-65-5
SCHEMBL3233074FMJUDUJLTNVWCH-JTQLQIEISA-NAKOS015891394AS-37398CS-0172245(-)-2-Ethoxy-3-(4-hydroxyphenyl)propionic acidF040603(2S)-2-ethoxy-3-(4-hydroxyphenyl)-propionic acid
Database identifiers
- CAS
325793-65-5- PubChem CID
- 9837207
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 390.8 · 390.8±27.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.65 · 3.65±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 3 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses(S)-2-Ethoxy-3-(4-hydroxyphenyl)propionic Acid, is used in the synthesis of the human peroxisome proliferator-activated receptor (PPAR) agonist ragaglitazar.
Suppliers9 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
6 records
Compound notes
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