Basic information
- CAS
831-67-4- Standard SMILES
O=C(O)C1CCCCCCCCCC1- InChIKey
BHECNPOVJVTHKS-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- Cycloundecanecarboxylic acid
- IUPAC
- cycloundecanecarboxylic acid
- English name
- Cycloundecanecarboxylic acid
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
Cycloundecanecarboxylic acid831-67-4EINECS 212-609-0DTXSID90232171NSC 82299RefChem:130033DTXCID90154662212-609-0CycloundecanecarboxylicacidNSC-82299NSC82299cycloundecanecarboxylic
Show more names
MV9LLQ6QHZcycloundecancarbonsäureSCHEMBL8365391BHECNPOVJVTHKS-UHFFFAOYSA-NAKOS006274548DB-319056NS00042032
Database identifiers
- CAS
831-67-4- PubChem CID
- 101877
- DTXSID
DTXSID90232171- UNII
- MV9LLQ6QHZ
- EC Number
- 212-609-0
- Nikkaji
- J195.096G
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Boiling point
- 191 · 191-193 °C(Press: 18 Torr)
- Density
- 0.956 · 0.956±0.06 g/cm3(Predicted)
- pka
- 4.9 · 4.90±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers4 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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