Basic information
- CAS
29644-99-3- Standard SMILES
CCC(C(=O)O)c1ccc(OC)cc1- InChIKey
SHXBXUJGKPPUOS-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)butanoic acid
- IUPAC
- 2-(4-methoxyphenyl)butanoic acid
- English name
- 2-(4-methoxyphenyl)butanoic acid
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
2-(4-methoxyphenyl)butanoic acidDTXSID20952113RefChem:457972DTXCID801380213820-909-329644-99-3MFCD001569202-(p-Methoxyphenyl)butyric acid(R/S)-2-(4-METHOXY-PHENYL)-BUTYRIC ACIDBRN 3261305BUTYRIC ACID, 2-(p-METHOXYPHENYL)-2-(4-methoxyphenyl)butanoicacid
Show more names
2-(p-Methoxyphenyl)butanoic acidα-Ethyl-4-methoxybenzeneacetic acidBenzeneacetic acid, α-ethyl-4-methoxy-
NSC617282p-methoxyphenylbutyric acid4-methoxyphenylbutanoic acidSCHEMBL1587133CHEMBL1973358SHXBXUJGKPPUOS-UHFFFAOYSA-N2-(4'-methoxyphenyl)butyric acidEBA64499
Database identifiers
- CAS
29644-99-3- PubChem CID
- 34657
- DTXSID
DTXSID20952113- ChEMBL
CHEMBL1973358- EC Number
- 820-909-3
- Nikkaji
- J77.600I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 61 · 61-64°
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers4 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
6 records
Compound notes
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