Basic information
- CAS
884-36-6- Standard SMILES
O=C(O)C1CCCCCCCCCCC1- InChIKey
JWIPDQOXAJMVHL-UHFFFAOYSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.17763
Names & identifiers
- Preferred name
- Cyclododecanecarboxylic acid
- IUPAC
- cyclododecanecarboxylic acid
- English name
- CYCLODODECANECARBOXYLIC ACID
- Molecular formula
- C13H24O2
- Molecular weight
- 212.33
Names & synonyms
Cyclododecanecarboxylic acid884-36-6EINECS 212-937-4DTXSID60237017RefChem:129453DTXCID60159508212-937-4JWIPDQOXAJMVHL-UHFFFAOYSA-Ncyclododecanecarboxylic93ECC7N9Q7SCHEMBL1873055SCHEMBL10012991
Show more names
Cyclododecane-1-carboxylic acidCyclododecanecarboxylic acid >=97.0%
KST-1B9022AKOS009159275Cyclododecanecarboxylic acid, >=97.0%NS000431601-({[(3|A,8xi,9xi,14xi)-3-hydroxycholest-5-en-3-yl]amino}oxy)-2-(2,4,6-triiodobenzyl)butan-1-one
Database identifiers
- CAS
884-36-6- PubChem CID
- 70165
- DTXSID
DTXSID60237017- UNII
- 93ECC7N9Q7
- EC Number
- 212-937-4
- Nikkaji
- J195.181E
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 97 · 97-98 °C (lit.)
- Boiling point
- 124 · 124-125 °C(Press: 1 Torr)
- Density
- 0.943 · 0.943±0.06 g/cm3(Predicted)
- pka
- 4.9 · 4.90±0.20(Predicted)
- form
- solid
- BRN
- 1869970 · 1869970
- InChI
- 1S/C13H24O2/c14-13(15)12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2,(H,14,15)
- InChIKey
- JWIPDQOXAJMVHL-UHFFFAOYSA-N
- SMILES
- OC(=O)C1CCCCCCCCCCC1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
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)
Aggregated GHS information provided per 39 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesCyclododecanecarboxylic acid may be used in chemical synthesis studies.
Suppliers7 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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