Basic information
- CAS
199795-20-5- Standard SMILES
CCCCC1CCC(c2ccc(C#Cc3ccc(OCC)cc3)cc2)CC1- InChIKey
CSISUZCVJCNCFG-UHFFFAOYSA-N- Molecular formula
- C26H32O
- Average molar mass
- 360.5 g/mol
- Monoisotopic mass
- 360.24531564
Names & identifiers
- Preferred name
- trans-1-(2-(4-(4-Butylcyclohexyl)phenyl)ethynyl)-4-ethoxybenzene
- IUPAC
- 1-(4-butylcyclohexyl)-4-[2-(4-ethoxyphenyl)ethynyl]benzene
- English name
- trans-1-(2-(4-(4-Butylcyclohexyl)phenyl)ethynyl)-4-ethoxybenzene
- Molecular formula
- C26H32O
- Molecular weight
- 360.53
Names & synonyms
199795-20-5TRANS-1-(2-(4-(4-BUTYLCYCLOHEXYL)PHENYL)ETHYNYL)-4-ETHOXYBENZENE1-(4-butylcyclohexyl)-4-[2-(4-ethoxyphenyl)ethynyl]benzeneMFCD11053358Benzene, 1-(trans-4-butylcyclohexyl)-4-[(4-ethoxyphenyl)ethynyl]-1-(4-Butylcyclohexyl)-4-((4-ethoxyphenyl)ethynyl)benzene1-(4-Butylcyclohexyl)-4-[(4-ethoxyphenyl)ethynyl]benzene4cHP2OPaButylcyclohexyl 4-ethoxytolaneSCHEMBL9512273SCHEMBL26347314DTXSID10633560
Show more names
MSK190853-100MBS-49281Butyric cyclohexyl P ethoxydiphenylacetylene1-(2-(4-(4-butylcyclohexyl)phenyl)ethynyl)-4-ethoxybenzene1-((1s,4r)-4-butylcyclohexyl)-4-((4-ethoxyphenyl)ethynyl)benzenetrans-1-(4-Butylcyclohexyl)-4-(2-(4-ethoxyphenyl)ethynyl)benzene1-(trans-4-Butylcyclohexyl)-4-[(4-ethoxyphenyl)ethynyl]benzene Solution in Methanol, 100ug/mL
Database identifiers
- CAS
199795-20-5- PubChem CID
- 23391128
- DTXSID
DTXSID10633560
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 459
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
Physicochemical properties
- Boiling point
- 489.464 · 489.464±38.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.032 · 1.032±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H413
- Precautionary statements
- 264 · P264-P273-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
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
- H315-H319-H413
- Precautionary statements
- P264-P273-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Chemistry & industry
Suppliers18 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]
北京云基科技有限公司(+86)13146479469
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
湖北魏氏化学试剂股份有限公司13125137732 18686406941 · [email protected]
石家庄晔晟化工科技有限公司18031147013 18031147013 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
北京云基科技股份有限公司010-56928928 18510282553 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
上海亿万化工有限公司00-18662433356 18662433356 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
南京予善化工有限公司+86-025-025-85281586 18651653755 · [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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