Basic information
- CAS
120-13-8- Standard SMILES
CCOc1ccc(CC(=O)O)cc1OC- InChIKey
XVNXRPVJRCYHEW-UHFFFAOYSA-N- Molecular formula
- C11H14O4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.08920892
Names & identifiers
- Preferred name
- 4-Ethoxy-3-methoxyphenylacetic acid
- IUPAC
- 2-(4-ethoxy-3-methoxyphenyl)acetic acid
- English name
- 4-Ethoxy-3-methoxyphenylacetic acid
- Molecular formula
- C11H14O4
- Molecular weight
- 210.23
Names & synonyms
4-Ethoxy-3-methoxyphenylacetic acidBenzeneacetic acid, 4-ethoxy-3-methoxy-EINECS 204-372-7DTXSID6074467NSC 62696RefChem:522612DTXCID2033528204-372-7120-13-82-(4-ethoxy-3-methoxyphenyl)acetic acid(4-ethoxy-3-methoxyphenyl)acetic acidMFCD00016831
Show more names
RARECHEM AL BO 03424-Ethoxy-3-methoxybenzeneacetic acid2-(4-ethoxy-3-methoxy-phenyl)ethanoic acid
NSC626962-(4-ethoxy-3-methoxy-phenyl)acetic acidApremilast Impurity 129SCHEMBL3527450NSC-62696AKOS002671991FE66602AS-63954
Database identifiers
- CAS
120-13-8- PubChem CID
- 67112
- DTXSID
DTXSID6074467- EC Number
- 204-372-7
- Nikkaji
- J265.578K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 122 · 122-124°C
- Boiling point
- 344.1 · 344.1±27.0 °C(Predicted)
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.35 · 4.35±0.10(Predicted)
- CAS DataBase Reference
- 120 · 120-13-8(CAS DataBase Reference)
- EPA Substance Registry System
- 4 · 4-Ethoxy-3-methoxyphenylacetic acid (120-13-8)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 290 · H290-H314
- Precautionary statements
- 234 · P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H290-H314
- Precautionary statements
- P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
Chemistry & industry
Applications
UsesIntermediate.
Suppliers36 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Related reactions
3 records
Compound notes
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