2-(3-Methoxyphenoxy)acetic acid
Basic information
- CAS
2088-24-6- Standard SMILES
COc1cccc(OCC(=O)O)c1- InChIKey
AHDPQRIYMMZJTF-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Names & identifiers
- Preferred name
- 2-(3-Methoxyphenoxy)acetic acid
- IUPAC
- 2-(3-methoxyphenoxy)acetic acid
- English name
- 3-METHOXYPHENOXYACETIC ACID
- Molecular formula
- C9H10O4
- Molecular weight
- 182.17
Names & synonyms
2-(3-methoxyphenoxy)acetic acidRefChem:455675681-527-92088-24-63-Methoxyphenoxyacetic acid(3-Methoxyphenoxy)acetic acidAcetic acid, (3-methoxyphenoxy)-MFCD00014357m-Methoxy phenoxy acetic acidAcetic acid, 2-(3-methoxyphenoxy)-3-Methoxyphenoxy aceticacidMLS001003207
Show more names
AKOS BC-1582AURORA 22719ASISCHEM B51646AKOS BBS-00007934IFLAB-BB F1924-0025LABOTEST-BB LT00454267(M-METHOXYPHENOXY)ACETIC ACID
SCHEMBL594554(3-methoxyphenoxy)-acetic acid2-(3-methoxyphenoxy)aceticacidSCHEMBL7386593SCHEMBL8651266SCHEMBL8800308CHEMBL1535008SCHEMBL30785439
Database identifiers
- CAS
2088-24-6- PubChem CID
- 74969
- DTXSID
DTXSID40174991- ChEMBL
CHEMBL1535008- EC Number
- 681-527-9
- Nikkaji
- J364.664E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Experimental & physicochemical properties
LogP1.38
Physicochemical properties
- Melting point
- 116 · 116-117°C
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 1 · pK1:3.141 (25°C)
- Appearance
- White to off-white Solid
- BRN
- 1876898 · 1876898
- CAS DataBase Reference
- 2088 · 2088-24-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36
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 (20%): 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)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (20%)
Safety data
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Suppliers
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Related reactions
12 records
Compound notes
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