Basic information
- CAS
95756-62-0- Standard SMILES
CCCC1CCC(C2CCC(OCC)CC2)CC1- InChIKey
WFNGXXFOYRNZIV-UHFFFAOYSA-N- Molecular formula
- C17H32O
- Average molar mass
- 252.4 g/mol
- Monoisotopic mass
- 252.24531564
Overview
See also: 4-trans-Ethoxy-4-trans-propyl-(1,1-bicyclohexyl) (annotation moved to).
Names & identifiers
- Preferred name
- (trans,trans)-4-Ethoxy-4'-propyl-1,1'-bicyclohexyl
- IUPAC
- 1-ethoxy-4-(4-propylcyclohexyl)cyclohexane
- English name
- trans-4-Ethoxy-trans-4'-propyl-[1,1'-bicyclohexyl]
- Molecular formula
- C17H32O
- Molecular weight
- 252.44
Names & synonyms
(trans,trans)-4-ethoxy-4'-propyl-1,1'-bicyclohexylRefChem:40853295756-62-0(1r,1's,4R,4'R)-4-Ethoxy-4'-propyl-1,1'-bi(cyclohexane)(trans,trans)-4-Ethoxy-4'-propyl-1,1'-bi(cyclohexane)1-ethoxy-4-(4-propylcyclohexyl)cyclohexaneMFCD224216144-Ethoxy-4'-propyl-1,1'-bi(cyclohexane)trans-4-Ethoxy-trans-4''-propyl-[1,1''-bicyclohexyl]1,1'-Bicyclohexyl, 4-ethoxy-4'-propyl-, (trans,trans)-trans,trans-4'-Propyl-4-ethoxy-bicyclohexyl2ObcH3
Show more names
1,1'-Bicyclohexyl, 4-ethoxy-4'-propyl--4-Ethoxy-4'-propyl-1,1'-bi(cyclohexane)trans,trans-4-ethoxy-4'-propylbicyclohexylTRANS,TRANS-4''-PROPYL-4-ETHOXY-BICYCLOHEXYLtrans-4-Ethoxy-trans-4'-propyl-[1,1'-bicyclohexyl]trans(trans)-4-Ethoxy-4'-npropyl-1,1'-bicyclohexyltrans-4-ethoxy-trans-4''-propyl-[1,1''-bicyclohexyl1,1'-Bicyclohexyl,4-ethoxy-4'-propyl-, (trans,trans)-
SCHEMBL7910493SCHEMBL8412407SCHEMBL10005513SCHEMBL10705734DTXSID20339844MFCD11053447AKOS000618727AKOS015918043
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 210
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 310.425 · 310.425±10.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.902 · 0.902±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers28 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
北京云基科技有限公司(+86)13146479469
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
北京八亿时空液晶科技股份有限公司0086-18600516188 18600516188 · [email protected]
石家庄晔晟化工科技有限公司18031147013 18031147013 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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