2-(2-Formyl-6-methoxyphenoxy)acetic acid
Basic information
- CAS
40359-30-6- Standard SMILES
COc1cccc(C=O)c1OCC(=O)O- InChIKey
STGBYWNNAZDMFE-UHFFFAOYSA-N- Molecular formula
- C10H10O5
- Average molar mass
- 210.18 g/mol
- Monoisotopic mass
- 210.05282342
Names & identifiers
- Preferred name
- 2-(2-Formyl-6-methoxyphenoxy)acetic acid
- IUPAC
- 2-(2-formyl-6-methoxyphenoxy)acetic acid
- English name
- 2-(2-Formyl-6-methoxyphenoxy)acetic acid
- Molecular formula
- C10H10O5
- Molecular weight
- 210.18
Names & synonyms
2-(2-formyl-6-methoxyphenoxy)acetic acidRefChem:453910872-768-240359-30-6MFCD00127291(2-formyl-6-methoxyphenoxy)acetic acid2-(2-formyl-6-methoxy-phenoxy)acetic AcidOprea1_404624SCHEMBL2554736STGBYWNNAZDMFE-UHFFFAOYSA-NQBA35930BBL023371
Show more names
2-(2-formyl-6-methoxyphenoxy)acetateAcetic acid, 2-(2-formyl-6-methoxyphenoxy)-
SBB094313STK3193472-formyl-6-methoxy-phenoxyacetic acidAKOS000104149SY204737DB-049574CS-02153432B-004
Database identifiers
- CAS
40359-30-6- PubChem CID
- 737589
- EC Number
- 872-768-2
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Melting point
- 115 · 115-118°C
- Boiling point
- 387.9 · 387.9±27.0 °C(Predicted)
- Density
- 1.311 · 1.311±0.06 g/cm3(Predicted)
- pka
- 3.07 · 3.07±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- 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]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Hazard statements
- H315-H335-H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
1 records
Compound notes
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