1-(1-Propynyl)cyclohexanol
Basic information
- CAS
697-37-0- Standard SMILES
CC#CC1(O)CCCCC1- InChIKey
UTISCLIDFORRJP-UHFFFAOYSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.10446507
Names & identifiers
- Preferred name
- 1-(1-Propynyl)cyclohexanol
- IUPAC
- 1-prop-1-ynylcyclohexan-1-ol
- English name
- 1-(1-Propynyl)cyclohexanol
- Molecular formula
- C9H14O
- Molecular weight
- 138.21
Names & synonyms
1-(1-PROPYNYL)CYCLOHEXANOL697-37-0DTXSID80282241RefChem:1053770DTXCID402333951-prop-1-ynylcyclohexan-1-ol1-propynyl-1-cyclohexanol1-(prop-1-yn-1-yl)cyclohexan-1-olMFCD00078311NSC251101-prop-1-ynylcyclohexanolSCHEMBL1966544
Show more names
TIMTEC-BB SBB0089361-PROPYNL CYCLOHEXANOL1-PROPYNL-1-CYCLOHEXANOL1-(1-Propynyl)cyclohexanol,98+%Cyclohexanol, 1-(1-propyn-1-yl)-
SCHEMBL1966547SCHEMBL6943713UTISCLIDFORRJP-UHFFFAOYSA-NNSC-25110SBB008936AKOS006229358CS-0455021F168600
Database identifiers
- CAS
697-37-0- PubChem CID
- 230341
- DTXSID
DTXSID80282241- Nikkaji
- J1.674.666E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 47 °C · 47°C
- Boiling point
- 92 °C · 92°C 10mm
- Density
- 0.98 · 0.98±0.1 g/cm3(Predicted)
- Flash point
- 91 · 91-92°C/10mm
- pka
- 13.28 · 13.28±0.20(Predicted)
- BRN
- 1856828 · 1856828
- CAS DataBase Reference
- 697 · 697-37-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H313-H333
- Precautionary statements
- 301 · P301+P330+P331-P302+P352-P304+P341-P305+P351+P338
- Risk Statements
- 10 · 10
- Safety Statements
- 16 · 16-26-36
- RIDADR
- 1325 · 1325
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 1325
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 16-26-36
- Hazard statements
- H303-H313-H333
- Precautionary statements
- P301+P330+P331-P302+P352-P304+P341-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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