3-(4-Methoxy-3-methylphenyl)propanoic acid
Basic information
- CAS
22442-47-3- Standard SMILES
COc1ccc(CCC(=O)O)cc1C- InChIKey
ZATPJYSLVGVGGY-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 3-(4-Methoxy-3-methylphenyl)propanoic acid
- IUPAC
- 3-(4-methoxy-3-methylphenyl)propanoic acid
- English name
- 3-(4-Methoxy-3-methyl-phenyl)-propionic acid
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
3-(4-methoxy-3-methylphenyl)propanoic acid22442-47-33-(4-Methoxy-3-methyl-phenyl)-propionic acidMFCD00029822SCHEMBL2776108DTXSID50412290BBL025675STL294764AKOS000113707VS-080463-(4-methoxy-3-methylphenyl)propanoicacid3-(4-methoxy-3-methyl-phenyl)propanoic acid
Show more names
TIMTEC-BB SBB010912Benzenepropanoic acid, 4-methoxy-3-methyl-
XAA44247SBB010912SY454880CS-0214631ST50338778F52914EN300-1854220F639533
Database identifiers
- CAS
22442-47-3- PubChem CID
- 5237641
- DTXSID
DTXSID50412290- EC Number
- 663-132-3
- Nikkaji
- J1.824.703H
Properties
Computed structural properties
- XLogP
- 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
- 191
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
2 records
Compound notes
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