2,4-Bis(acetyloxy)benzoic acid
Basic information
- CAS
51-01-4- Standard SMILES
CC(=O)Oc1ccc(C(=O)O)c(OC(C)=O)c1- InChIKey
GZVIEFAFWBQDLQ-UHFFFAOYSA-N- Molecular formula
- C11H10O6
- Average molar mass
- 238.19 g/mol
- Monoisotopic mass
- 238.04773803
Names & identifiers
- Preferred name
- 2,4-Bis(acetyloxy)benzoic acid
- IUPAC
- 2,4-diacetyloxybenzoic acid
Names & synonyms
2,4-bis(acetyloxy)benzoic acidRefChem:443074873-431-22,4-diacetoxybenzoic acid51-01-42,4-diacetyloxybenzoic acid2,4-Diacetoxy-benzoic acidNSC10907CBMicro_002681Oprea1_658614MLS001049029beta-Resorcylic acid, diacetate
Show more names
SCHEMBL5603081CHEMBL1359021DTXSID60278985GZVIEFAFWBQDLQ-UHFFFAOYSA-NHMS2743C16SMSF0018429MFCD02081832NSC-10907
Database identifiers
- CAS
51-01-4- PubChem CID
- 223348
- DTXSID
DTXSID60278985- ChEMBL
CHEMBL1359021- EC Number
- 873-431-2
- Nikkaji
- J553.090C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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