3-(3-Methoxyphenoxy)propionic Acid
Basic information
- CAS
49855-03-0- Standard SMILES
COc1cccc(OCCC(=O)O)c1- InChIKey
JKTUZDBNDYMNLO-UHFFFAOYSA-N- Molecular formula
- C10H12O4
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.07355886
Names & identifiers
- Preferred name
- 3-(3-Methoxyphenoxy)propionic Acid
- IUPAC
- 3-(3-methoxyphenoxy)propanoic acid
- English name
- 3-(3-Methoxyphenoxy)propionic acid
- Molecular formula
- C10H12O4
- Molecular weight
- 196.2
Names & synonyms
3-(3-Methoxyphenoxy)propionic Acid49855-03-0DTXSID60409550RefChem:274187DTXCID30360402662-712-33-(3-methoxyphenoxy)propanoic AcidMFCD00045943Propanoic acid, 3-(3-methoxyphenoxy)-3-(3-Methoxyphenoxy)propionicAcidSCHEMBL5067089SCHEMBL30885868
Show more names
BUTTPARK 80\07-093'-Methoxy-3-phenoxypropanoic acid3-(3-Methoxyphenoxy)propionicAcid>Propanoic acid, 3-(3-methoxyphenoxy)-
JKTUZDBNDYMNLO-UHFFFAOYSA-N3-(3-Methoxyphenoxypropanoic acidZBA85503AKOS000131942AS-31597SY008351DB-051697CS-0150456
Database identifiers
- CAS
49855-03-0- PubChem CID
- 5201573
- DTXSID
DTXSID60409550- EC Number
- 662-712-3
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 83 °C · 83 °C
- Boiling point
- 319.8 · 319.8±17.0 °C(Predicted)
- Density
- 1.188 · 1.188±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 4.21 · 4.21±0.10(Predicted)
- color
- White to Light yellow to Light orange
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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
H302 (95%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95%)
Safety data
- hs_code
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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