3-(4-Methoxyphenyl)butanoic acid
Basic information
- CAS
6555-30-2- Standard SMILES
COc1ccc(C(C)CC(=O)O)cc1- InChIKey
GTUSGMFEBAENPL-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenyl)butanoic acid
- IUPAC
- 3-(4-methoxyphenyl)butanoic acid
- English name
- 3-(4-methoxyphenyl)butanoic acid
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
3-(4-Methoxyphenyl)butanoic acid6555-30-2MFCD02671263SCHEMBL22079663-(4-Methoxyphenyl)butanoicacidGTUSGMFEBAENPL-UHFFFAOYSA-NGAA555303-(4-Methoxy-phenyl)-butyric acid3-(4-Methoxyphenyl)butanoic acid #AKOS009219518NS-01886SY133493
Show more names
Benzenepropanoic acid, 4-methoxy-β-methyl-
DB-128022CS-0222002Benzenepropanoic acid, 4-methoxy-beta-methyl-EN300-101031G43005Benzenepropanoic acid, 4-methoxy-.beta.-methyl-F644448Z352782172
Database identifiers
- CAS
6555-30-2- PubChem CID
- 585489
- EC Number
- 140-830-1
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 65 °C · 65 °C
- Boiling point
- 188 · 188-190 °C(Press: 12 Torr)
- Density
- 1.112 · 1.112±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 4.73 · 4.73±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- 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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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
- P280-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…