Basic information
- CAS
5458-76-4- Standard SMILES
Cc1ccc(OCC(=O)O)cc1OCC(=O)O- InChIKey
GIBXEGOBIUWGQL-UHFFFAOYSA-N- Molecular formula
- C11H12O6
- Average molar mass
- 240.21 g/mol
- Monoisotopic mass
- 240.0633881
Names & identifiers
- Preferred name
- 2,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acid
- IUPAC
- 2-[3-(carboxymethoxy)-4-methylphenoxy]acetic acid
- English name
- 4-Methylcatechol-O,O-diacetic acid
- Molecular formula
- C11H12O6
- Molecular weight
- 240.21
Names & synonyms
SCHEMBL53846622,2'-((4-Methyl-1,2-phenylene)bis(oxy))bisacetic acidEINECS 226-723-3NSC 23710LABOTEST-BB LT00455021XNWHXCLJBFNQDQ-UHFFFAOYSA-N4-Methylcatechol-O,O-diacetic acid4-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)
Database identifiers
- CAS
5458-76-4- PubChem CID
- 79565
Properties
Computed structural properties
- XLogP
- 1.9
- 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
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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