4-(3-Methoxyphenyl)butanoic acid
Basic information
- CAS
24743-11-1- Standard SMILES
COc1cccc(CCCC(=O)O)c1- InChIKey
XVNAQBXAGBAWEE-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 4-(3-Methoxyphenyl)butanoic acid
- IUPAC
- 4-(3-methoxyphenyl)butanoic acid
- English name
- 3-Methoxybenzenebutanoic acid
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
4-(3-methoxyphenyl)butanoic acid24743-11-1DTXSID30301971RefChem:287673DTXCID502531053-Methoxy-benzenebutanoic acidMFCD008705433-Methoxybenzenebutanoic acidNSC147640SCHEMBL77582734-(3-methoxyphenyl)butanoicacidSCHEMBL29669893
Show more names
Benzenebutanoic acid, 3-methoxy-4-(3-Methoxy-phenyl)-butyric acid
ZAA74311AKOS013530443NSC-147640DB-136839CS-0224101EN300-117788F79836F646252
Database identifiers
- CAS
24743-11-1- PubChem CID
- 287583
- DTXSID
DTXSID30301971- EC Number
- 990-254-7
- Nikkaji
- J136.416B
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
- 179
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
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 2 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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