(Trans(Trans))-4'-vinyl-4-(4-methylphenyl)bicyclohexyl
Basic information
- CAS
1184918-80-6- Standard SMILES
C=CC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1- InChIKey
BCUMFFLWJNKNOU-UHFFFAOYSA-N- Molecular formula
- C21H30
- Average molar mass
- 282.5 g/mol
- Monoisotopic mass
- 282.23475096
Overview
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Names & identifiers
- Preferred name
- (Trans(Trans))-4'-vinyl-4-(4-methylphenyl)bicyclohexyl
- IUPAC
- 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene
- English name
- 1-Methyl-4-(4-trans-vinyl-[1,1′-bicyclohexyl]-4′-trans-yl)-benzol
- Molecular formula
- C21H30
- Molecular weight
- 282.46
Names & synonyms
DTXSID80608922(trans(trans))-4'-vinyl-4-(4-methylphenyl)bicyclohexylRefChem:408502DTXCID501768355439-730-3155041-85-3(trans,trans)-4-(p-Tolyl)-4'-vinyl-1,1'-bi(cyclohexane)1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzeneMFCD12911573trans,trans-4-(4-Methylphenyl)-4'-vinylbicyclohexyl1-Methyl-4-(4-trans-vinyl-[1,1'-bicyclohexyl]-4'-trans-yl)-benzoltrans,trans-4-(p-Tolyl)-4'-vinylbicyclohexyl
Show more names
1PHHVCCP-V 14-p-tolyl-4'-vinylbi(cyclohexane)Trans -4-methylphenyl dicyclohexyl ethyleneTRANS,TRANS-4-P-TOLYL-4''-VINYL-BICYCLOHEXYLtrans-4-(4-Methylphenyl)-trans-4'-vinylbicyclohexanetrans,trans-4-(4-Methylphenyl)-4'-vinylbicyclohexyl>(trans,trans)-4-(p-Tolyl)-4'-vinyl-1,1'-bi(cyclohexane)
1-[(trans,trans)-4'-ethenyl[1,1'-bicyclohexyl]-4-yl]-4-methylbenzenebenzene, 1-[(trans,trans)-4'-ethenyl[1,1'-bicyclohexyl]-4-yl]-4-methyl-LS-149131-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methyl-benzeneC21H30trans,trans-4-p-Tolyl-4'-vinyl-bicyclohexylMePVbcHBCUMFFLWJNKNOU-UHFFFAOYSA-N
Database identifiers
- CAS
1184918-80-6、155041-85-3- PubChem CID
- 20580010
- DTXSID
DTXSID201377503- EC Number
- 439-730-3
- Nikkaji
- J1.339.174B、J2.802.028G、J3.781.363J
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 307
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
Physicochemical properties
- Melting point
- 64 to · 64.0 to 68.0 °C
- Boiling point
- 388.5 · 388.5±42.0 °C(Predicted)
- Density
- 0.981 · 0.981
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Toluene
- form
- powder to crystal
- color
- White to Almost white
- LogP
- 8.6 at · 8.6 at 20℃
- CAS DataBase Reference
- 155041 · 155041-85-3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 29029090 · 29029090
- REACH Registrations
- Inactive
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
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P319, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: (trans(trans))-4'-vinyl-4-(4-methylphenyl)bicyclohexyl (EC: 439-730-3)
Hazard Classes and CategoriesSTOT RE 2 (100%)
Safety data
- hs_code
- 29029090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P280-P305+P351+P338
Suppliers
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Related reactions
1 records
Compound notes
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