Cycloheptaneethanol
Basic information
- CAS
4480-98-2- Standard SMILES
OCCC1CCCCCC1- InChIKey
WLPDUJITFJCPFH-UHFFFAOYSA-N- Molecular formula
- C9H18O
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.13576519
Names & identifiers
- Preferred name
- Cycloheptaneethanol
- IUPAC
- 2-cycloheptylethanol
- English name
- cycloheptaneethanol
- Molecular formula
- C9H18O
- Molecular weight
- 142.24
Names & synonyms
Cycloheptaneethanol4480-98-22-cycloheptylethan-1-olDTXSID90280879RefChem:580328DTXCID70232033866-750-32-cycloheptylethanolEthanol, 2-cycloheptyl-MFCD09926200NSC-189736F3F4EEW94
Show more names
NSC18973UNII-6F3F4EEW94SCHEMBL1240636SCHEMBL1240639SCHEMBL6607326WLPDUJITFJCPFH-UHFFFAOYSA-NAKOS006313779AS-46668
Database identifiers
- CAS
4480-98-2- PubChem CID
- 227404
- DTXSID
DTXSID90280879- UNII
- 6F3F4EEW94
- EC Number
- 866-750-3
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 72.8
Physicochemical properties
- Boiling point
- 217.4 · 217.4±8.0 °C(Predicted)
- Density
- 0.893 · 0.893±0.06 g/cm3(Predicted)
- pka
- 15.14 · 15.14±0.10(Predicted)
- FDA UNII
- 6 F3F4EEW94 · 6F3F4EEW94
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
2 records
Compound notes
Loading…