1-Ethoxy-4-(4-propylcyclohexyl)benzene
Basic information
- CAS
80944-44-1- Standard SMILES
CCCC1CCC(c2ccc(OCC)cc2)CC1- InChIKey
OXBRRUNAAVNTOZ-UHFFFAOYSA-N- Molecular formula
- C17H26O
- Average molar mass
- 246.4 g/mol
- Monoisotopic mass
- 246.19836545
Overview
See also: Benzene, 1-ethoxy-4-(4-propylcyclohexyl)-, trans- (annotation moved to).
Names & identifiers
- Preferred name
- 1-Ethoxy-4-(4-propylcyclohexyl)benzene
- IUPAC
- 1-ethoxy-4-(4-propylcyclohexyl)benzene
- English name
- 1-Ethoxy-4-(trans-4-propylcyclohexyl)benzene
- Molecular formula
- C17H26O
- Molecular weight
- 246.39
Names & synonyms
1-Ethoxy-4-(4-propylcyclohexyl)benzeneDTXSID701001656RefChem:1055384DTXCID80142860380944-44-11-Ethoxy-4-(trans-4-propylcyclohexyl)benzene1-Ethoxy-4-(Trans-4-n-Propylcyclohexyl)BenzeneMFCD06658195trans-1-Ethoxy-4-(4-n-propylcyclohexyl)benzene4-(trans-4-Propylcyclohexyl)-1-ethoxy-benzeneEINECS 279-633-1SCHEMBL1894069
Show more names
3,O2PCPCH302Propyl cyclohexyl phenyl ethertrans-4-(4-Propylcyclohexyl)phenetole1α-Propyl-4β-(4-ethoxyphenyl)cyclohexane1α-(4-Ethoxyphenyl)-4β-propylcyclohexane1-Ethoxy-4-trans-propylcyclohexyl benzene1-Ethoxy-4-(trans-4-propylcycohexyl)benzene
STK019727SB66943trans-1-Ethoxy-4-(4-propylcyclohexyl)benzenBenzene, 1-ethoxy-4-(trans-4-propylcyclohexyl)-trans-p-(4-Propylcyclohexyl)phenetole2O3cHPSCHEMBL4800850SCHEMBL18503394
Database identifiers
- CAS
80944-44-1- PubChem CID
- 595182
- DTXSID
DTXSID701001656- EC Number
- 279-633-1
- Nikkaji
- J296.047H、J988.135B
Properties
Computed structural properties
- XLogP
- 6.1
- 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
- Melting point
- 42 °C · 42 °C
- Boiling point
- 345.3 · 345.3±21.0 °C(Predicted)
- Density
- 0.928 · 0.928±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Light yellow
- CAS DataBase Reference
- 80944 · 80944-44-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-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.
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%)
Safety data
- hs_code
- 2909.30.6000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesIntermediates of Liquid Crystals
Suppliers
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Related reactions
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Compound notes
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