Basic information
- CAS
4919-34-0- Standard SMILES
CCOc1ccc(CCC(=O)O)cc1- InChIKey
ZDSHOEQSCJOGCK-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.09429431
Names & identifiers
- Preferred name
- 3-(4-Ethoxyphenyl)propanoic acid
- IUPAC
- 3-(4-ethoxyphenyl)propanoic acid
- English name
- 3-(4-ETHOXYPHENYL)PROPIONIC ACID
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
3-(4-ethoxyphenyl)propanoic acidDTXSID20303262RefChem:492990DTXCID10254395676-480-64919-34-03-(4-ETHOXYPHENYL)PROPIONIC ACIDbenzenepropanoic acid, 4-ethoxy-4-Ethoxybenzenepropanoic acidMFCD000165573-(4-Ethoxyphenyl)propanoicacidMaybridge4_000643
Show more names
ST5208619IDI1_031225BAS 13482297AKOS BBS-00007939ASINEX-REAG BAS 134822973-(ETHOXYPHENYL) PROPIONIC ACID
NSC157580SCHEMBL1205605ZDSHOEQSCJOGC4-Ethoxyphloretic acidZDSHOEQSCJOGCK-UHFFFAOYSA-NHMS1522N053-(4-Ethoxyphenyl)-propionic acidALBB-029467
Database identifiers
- CAS
4919-34-0- PubChem CID
- 291985
- DTXSID
DTXSID20303262- EC Number
- 676-480-6
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 102 · 102-104°C
- Boiling point
- 331.6 · 331.6±17.0 °C(Predicted)
- Density
- 1.116 · 1.116±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.72 · 4.72±0.10(Predicted)
- CAS DataBase Reference
- 4919 · 4919-34-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
- HS Code
- 2918999090 · 2918999090
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 5 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
- hs_code
- 2918999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers39 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
Related reactions
7 records
Compound notes
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