Acetic acid, 2-(2-formylphenoxy)-
Basic information
- CAS
6280-80-4- Standard SMILES
O=Cc1ccccc1OCC(=O)O- InChIKey
ANWMNLAAFDCKMT-UHFFFAOYSA-N- Molecular formula
- C9H8O4
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.04225873
Names & identifiers
- Preferred name
- Acetic acid, 2-(2-formylphenoxy)-
- IUPAC
- 2-(2-formylphenoxy)acetic acid
- English name
- 2-Formylphenoxyacetic acid
- Molecular formula
- C9H8O4
- Molecular weight
- 180.16
Names & synonyms
2-Formylphenoxyacetic acid2-(2-Formylphenoxy)acetic acid6280-80-4(2-Formylphenoxy)acetic acido-Formylphenoxyacetic acid2-CarboxymethoxybenzaldehydeAcetic acid, (o-formylphenoxy)-Acetic acid, 2-(2-formylphenoxy)-NSC 6140EINECS 228-480-9NSC 133590RefChem:552092
Show more names
AKOS B005809AKOS AU36-M43AKOS BBS-00000749TIMTEC-BB SBB008189Salbutamol Impurity 112(2-formylphenoxy)-aceticaci3-oxo-2-phenoxypropanoic acid
228-480-9Acetic acid, (2-formylphenoxy)-ortho-Formylphenoxyacetic acidMFCD00003315CC6J4EUV9TCHEMBL384289NSC-6140NSC-133590
Database identifiers
- CAS
6280-80-4- PubChem CID
- 46533
- DTXSID
DTXSID3064196- ChEMBL
CHEMBL384289- UNII
- CC6J4EUV9T
- EC Number
- 228-480-9
- Nikkaji
- J211.518B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Melting point
- 129.5 · 129.5-132 °C (lit.)
- Boiling point
- 272.96 °C · 272.96°C (rough estimate)
- Density
- 1.2933 · 1.2933 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- solid
- pka
- 3.04 · 3.04±0.10(Predicted)
- Appearance
- Yellow to brown Solid
- Sensitive
- Air Sensitive
- BRN
- 2096797 · 2096797
- InChI
- 1S/C9H8O4/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-5H,6H2,(H,11,12)
- InChIKey
- ANWMNLAAFDCKMT-UHFFFAOYSA-N
- SMILES
- OC(=O)COc1ccccc1C=O
- CAS DataBase Reference
- 6280 · 6280-80-4(CAS DataBase Reference)
- FDA UNII
- 6 J4EUV9T · CC6J4EUV9T
- NIST Chemistry Reference
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29189900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-(2-formylphenoxy)-: INACTIVE
Applications
Uses2-Formylphenoxyacetic acid was used to synthesize azomethine derivatives. It was also used in the preparation of ligands L(1)H(2) and L(2)H(2).
Suppliers
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Related reactions
4 records
Compound notes
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