Cyclooctanecarboxylic acid
Basic information
- CAS
4103-15-5- Standard SMILES
O=C(O)C1CCCCCCC1- InChIKey
URAXDCBRCGSGAT-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- Cyclooctanecarboxylic acid
- IUPAC
- cyclooctanecarboxylic acid
- English name
- Cyclooctanecarboxylic acid
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
Cyclooctanecarboxylic acid4103-15-5DTXSID20343103RefChem:129805DTXCID40294183838-705-8URAXDCBRCGSGAT-UHFFFAOYSA-NMFCD06656583CyclooctanecarboxylicacidSCHEMBL242069SCHEMBL472301SCHEMBL28206446
Show more names
SCHEMBL28294126SCHEMBL28848701EAA10315AKOS010488461SY018241CS-0452234EN300-85433F401525
Database identifiers
- CAS
4103-15-5- PubChem CID
- 587463
- DTXSID
DTXSID20343103- EC Number
- 838-705-8
- Nikkaji
- J80.748F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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