Basic information
- CAS
98321-58-5- Standard SMILES
CCCOC1CCC(C2CCC(CCC)CC2)CC1- InChIKey
WHCNPNKLHXTBQY-OPMHRUBESA-N- Molecular formula
- C18H34O
- Average molar mass
- 266.5 g/mol
- Monoisotopic mass
- 266.2609657
Names & identifiers
- Preferred name
- (trans,trans)-4-Propoxy-4'-propyl-1,1'-bicyclohexyl
- IUPAC
- 1-propoxy-4-(4-propylcyclohexyl)cyclohexane
- English name
- trans,trans-4-n-Propyl-4'-n-propyl-1,1'-bicyclohexyl
- Molecular formula
- C18H34O
- Molecular weight
- 266.46
Names & synonyms
DTXSID80122473498321-58-5RefChem:408539DTXCID201656000(trans,trans)-4-Propoxy-4'-propyl-1,1'-bicyclohexyl1,1'-Bicyclohexyl, 4-propoxy-4'-propyl-3ObcH34-propoxy-4'-propyl-1,1'-bi(cyclohexane)SCHEMBL4804365SCHEMBL6335760SCHEMBL7515583SCHEMBL9347731
Show more names
trans,trans-4-Propoxy-4'-propylbicyclohexyltrans,trans-4-n-Propyl-4'-n-propyl-1,1'-bicyclohexyl
WHCNPNKLHXTBQY-OPMHRUBESA-NWHCNPNKLHXTBQY-UHFFFAOYSA-N(1r,1's,4r,4'r)-4-propoxy-4'-propyl-1,1'-bi(cyclohexane)(trans,trans)-4-Propoxy-4a(2)-propyl-1,1a(2)-bicyclohexyl
Database identifiers
- CAS
98321-58-5- PubChem CID
- 545355
- DTXSID
DTXSID801224734- EC Number
- 619-337-5
- Nikkaji
- J2.566.115J、J3.032.825F
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 222
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
Physicochemical properties
- Boiling point
- 325.594 · 325.594±10.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.9 · 0.900±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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
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%)
Chemistry & industry
Suppliers3 total
石家庄晔晟化工科技有限公司18031147013 18031147013 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
烟台丰蓬液晶材料有限公司18754503080 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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