Basic information
- CAS
7180-76-9- Standard SMILES
CC(=O)C(=O)CCCCCC(=O)O- InChIKey
LUCODFUPVSYZRC-UHFFFAOYSA-N- Molecular formula
- C9H14O4
- Average molar mass
- 186.2 g/mol
- Monoisotopic mass
- 186.08920892
Overview
7,8-dioxononanoic acid is an oxo carboxylic acid.
Names & identifiers
- Preferred name
- 7,8-Dioxononanoic acid
- IUPAC
- 7,8-dioxononanoic acid
Names & synonyms
7,8-dioxononanoic acid7,8-diketopelargonic acid7180-76-9zeta-eta-Dioxo-pelargonic acidCHEBI:139386
Database identifiers
- CAS
7180-76-9- PubChem CID
- 458121
- ChEBI
CHEBI:139386- EC Number
- 116-568-9
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
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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