Basic information
- CAS
39969-28-3- Standard SMILES
CCCCCc1ccc(C#Cc2ccc(OC)cc2)cc1- InChIKey
ULPSMBQBIIZGAI-UHFFFAOYSA-N- Molecular formula
- C20H22O
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.16706532
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)ethynyl-4-pentylbenzene
- IUPAC
- 1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene
- English name
- 1-(4-Methoxyphenyl)-2-(4-n-propylphenyl)acetylene
- Molecular formula
- C20H22O
- Molecular weight
- 278.39
Names & synonyms
1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene1-(4-Methoxyphenyl)ethynyl-4-pentylbenzene1-methoxy-4-(2-(4-pentylphenyl)ethynyl)benzeneRefChem:425794836-030-339969-28-31-methoxy-4-[(4-pentylphenyl)ethynyl]benzene1-(4-Methoxyphenyl)ethynyl-4-n-pentylbenzeneMFCD001872081-[2-(4-methoxyphenyl)ethynyl]-4-pentylbenzene1-(4-methoxyphenyl)-2-(4-n-propylphenyl)acetylene1-methoxy-4-((4-pentylphenyl)ethynyl)benzene
Show more names
TOLANE 5-O1TOLANE 3-O1Pentyl p-methoxydiphenylacetylene1-Pentyl-4-[2-(4-methoxyphenyl)ethynyl]benzeneMETHYL 4-[(4-PENTYLPHENYL)ETHYNYL]PHENYL ETHER1-(4-Methoxyphenyl)-2-(4-pentylphenyl)acetylene
Benzene, 1-methoxy-4-[2-(4-pentylphenyl)ethynyl]-F0349-37054-methoxy-1-[2-(4-pentylphenyl)ethynyl]benzene5PMeOPa1-[(4-Methoxyphenyl)ethynyl]-4-n-pentylbenzeneSCHEMBL7515327DTXSID70346624SMSSF-0047935
Database identifiers
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 331
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
SpringerMaterials PropertiesChemical diffusion
Physicochemical properties
- Melting point
- 47 °C · 47°C
- Boiling point
- 168 · 168-170°C/0.5mm
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- Flash point
- 168 · 168-170°C/0.5mm
- storage temp.
- Store at room temperature
- form
- powder to crystal
- color
- White to Light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413
- Precautionary statements
- 501 · P501-P273
- HS Code
- 2909.3 · 2909.30.6000
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications 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
- H413
- Precautionary statements
- P501-P273
Chemistry & industry
Suppliers47 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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