Acetic acid, 2,2'-[(4-methyl-1,2-phenylene)bis(oxy)]bis-
Basic information
- CAS
5458-76-4- Standard SMILES
Cc1ccc(OCC(=O)O)c(OCC(=O)O)c1- InChIKey
XNWHXCLJBFNQDQ-UHFFFAOYSA-N- Molecular formula
- C11H12O6
- Average molar mass
- 240.21 g/mol
- Monoisotopic mass
- 240.0633881
Names & identifiers
- Preferred name
- Acetic acid, 2,2'-[(4-methyl-1,2-phenylene)bis(oxy)]bis-
- IUPAC
- 2-[2-(carboxymethoxy)-4-methylphenoxy]acetic acid
- English name
- 4-Methylcatechol-O,O-diacetic acid
- Molecular formula
- C11H12O6
- Molecular weight
- 240.21
Names & synonyms
5458-76-4Acetic acid, 2,2'-((4-methyl-1,2-phenylene)bis(oxy))bis-Acetic acid, 2,2'-[(4-methyl-1,2-phenylene)bis(oxy)]bis-RefChem:3163724-METHYLCATECHOL-O,O-DIACETIC ACID2-[2-(carboxymethoxy)-4-methylphenoxy]acetic acid2,2'-[(4-methyl-1,2-phenylene)bis(oxy)]diacetic acid2,2'-((4-Methyl-1,2-phenylene)bis(oxy))diacetic acidNSC23710SCHEMBL320418DTXSID80969828XNWHXCLJBFNQDQ-UHFFFAOYSA-N
Show more names
Einecs 226-723-3LABOTEST-BB LT004550214-METHYLCATECHOL-O,O-DIACETIC ACID 99%2,2'-[(4-Methyl-1,2-phenylene)bisoxy]diacetic acid2-[2-(carboxymethyloxy)-4-methyl-phenoxy]acetic acid2,2'-[(4-methyl-1,2-phenylene)bis(oxy)]bisacetic acidAcetic acid, 2,2'-[(4-methyl-1,2-phenylene)bis(oxy)]bis- (9CI)
NSC-23710SBB057959AKOS024319087NS00044106ST504094062-[2-(carboxymethoxy)-5-methylphenoxy]acetic acid
Database identifiers
- CAS
5458-76-4- PubChem CID
- 229764
- DTXSID
DTXSID80969828- EC Number
- 226-723-3
- Nikkaji
- J210.516K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 176 · 176-178°C
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P305+P351+P338-P321-P405-P501a
- Risk Statements
- 36 · 36/37/38
- 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.
Safety data
- risk_code
- 36/37/38
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P302+P352-P305+P351+P338-P321-P405-P501a
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Related reactions
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Compound notes
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