Basic information
- CAS
79887-11-9- Standard SMILES
C#Cc1ccc(CCCCCC)cc1- InChIKey
NFPDFDTYANKKIU-UHFFFAOYSA-N- Molecular formula
- C14H18
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.14085058
Names & identifiers
- Preferred name
- 1-Ethynyl-4-hexylbenzene
- IUPAC
- 1-ethynyl-4-hexylbenzene
- English name
- 1-Eth-1-ynyl-4-hexylbenzene
- Molecular formula
- C14H18
- Molecular weight
- 186.29
Names & synonyms
1-Ethynyl-4-hexylbenzene79887-11-9DTXSID60379401RefChem:230452DTXCID703304271-Eth-1-ynyl-4-hexylbenzene4-Hexyl-1-ethynylbenzene4-n-HexylphenylacetyleneMFCD001738834-ethynyl-1-hexylbenzene1-ethynyl-4-hexyl-benzene1-Ethynyl-4-n-hexylbenzene
Show more names
4-EthynylhexylbenzeneP-ETHYNYLHEXYLBENZENE4-HEXYLPHENYLACETYLENEBenzene,1-ethynyl-4-hexyl-1-Ethynyl-4-hexylbenzene>4-Hexyl-1-ethynylbenzene 4-Hexylphenylacetylene
SCHEMBL947879SCHEMBL1610406SBB0551711-Ethynyl-4-hexylbenzene, AldrichCPRAKOS006228247AS-58182DB-009026E0564
Database identifiers
- CAS
79887-11-9- PubChem CID
- 2775129
- DTXSID
DTXSID60379401- Nikkaji
- J1.662.181A
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 263.5 · 263.5±19.0 °C(Predicted)
- Density
- 0.89 · 0.89
- refractive index
- 1.517 · 1.5170-1.5210
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Red to Green
- Specific Gravity
- 0.892 · 0.892
- CAS DataBase Reference
- 79887 · 79887-11-9(CAS DataBase Reference)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39-37/39
- Hazard Note
- Irritant
- HS Code
- 2916340000 · 2916340000
Safety & regulation
Safety data
- hs_code
- 2916340000
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-37/39
Chemistry & industry
Suppliers54 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
上海钰康生物科技有限公司15618758386 15618758386 · [email protected]
Related reactions
5 records
Compound notes
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