Basic information
- Standard SMILES
OCC1CCCCCCCCCCC1- InChIKey
JQYWAZNRRQRPNN-UHFFFAOYSA-N- Molecular formula
- C13H26O
- Average molar mass
- 198.34 g/mol
- Monoisotopic mass
- 198.19836545
Names & identifiers
- Preferred name
- Cyclododecanemethanol
- IUPAC
- cyclododecylmethanol
- English name
- hydroxymethylcyclododecane
- Molecular formula
- C13H26O
- Molecular weight
- 198.34
Names & synonyms
1892-12-2CyclododecanemethanolHydroxymethylcyclododecaneDTXSID40172316RefChem:1082447DTXCID6094807217-574-5CyclododecylmethanolMFCD00003719EINECS 217-574-5NSC100761cyclododecane methanol
Show more names
Cyclododecylmethanol #SCHEMBL1225477SCHEMBL11791711ALBB-012838AKOS005173934NSC 100761NSC-100761DA-34950
Database identifiers
- CAS
1892-12-2- PubChem CID
- 74686
- DTXSID
DTXSID40172316- EC Number
- 217-574-5
- Nikkaji
- J199.716E
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 32 · 32-33 °C
- Boiling point
- 90 · 90-94 °C(Press: 0.1 Torr)
- Density
- 0.856 · 0.856±0.06 g/cm3(Predicted)
- pka
- 15.13 · 15.13±0.10(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 CategoriesAquatic Chronic 4 (100%)
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers4 total
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
10 records
Linked notes
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