cis-Cyclooctane-1,5-diol
Basic information
- CAS
23418-82-8- Standard SMILES
OC1CCCC(O)CCC1- InChIKey
BDNXUVOJBGHQFD-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- cis-Cyclooctane-1,5-diol
- IUPAC
- cyclooctane-1,5-diol
- English name
- cis-1,5-Cyclooctanediol
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
23418-82-8cis-Cyclooctane-1,5-diolEINECS 245-649-2DTXSID30177971RefChem:577383DTXCID90100462245-649-2cyclooctane-1,5-diolcis-1,5-Cyclooctanediol1,5-Cyclooctanediol55343-44-71,5-Cyclooctanediol, cis-
Show more names
cis-1,5-Cyclooctanediol 98%
(1S,5S)-CYCLOOCTANE-1,5-DIOLMFCD00001746CIS-15-CYCLOOCTANEDIOLMFCD02066258starbld00003591,5-Cyclooctanediol #Trans-cyclooctane-1,5-diolSCHEMBL328907
Database identifiers
- CAS
23418-82-8- PubChem CID
- 90092
- DTXSID
DTXSID30177971- EC Number
- 245-649-2
- Nikkaji
- J228.957A、J260.333K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 73.3
Physicochemical properties
- Melting point
- 73 · 73-75 °C (lit.)
- Boiling point
- 105 · 105-107 °C/0.05 mmHg (lit.)
- Density
- 0.973 · 0.9730 (rough estimate)
- refractive index
- 1.51 · 1.5100 (estimate)
- pka
- 14.85 · 14.85±0.40(Predicted)
- form
- solid
- InChI
- InChI=1S/C8H16O2/c9-7-3-1-4-8(10)6-2-5-7/h7-10H,1-6H2/t7-,8+
- InChIKey
- BDNXUVOJBGHQFD-OCAPTIKFSA-N
- SMILES
- [C@@H]1(O)CCC[C@H](O)CCC1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H335-H315-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Usescis-1,5-Cyclooctanediol was used in the synthesis of cis-1,5-diaminocyclooctane.
Suppliers
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Related reactions
10 records
Compound notes
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