Basic information
- CAS
4181-95-7- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC- InChIKey
KUPLEGDPSCCPJI-UHFFFAOYSA-N- Molecular formula
- C40H82
- Average molar mass
- 563.1 g/mol
- Monoisotopic mass
- 562.64165262
Overview
tetracontane has been reported in Hibiscus, Convolvulus prostratus, and other organisms with data available.
Names & identifiers
- Preferred name
- Tetracontane
- IUPAC
- tetracontane
- English name
- N-Tetracontane
- Molecular formula
- C40H82
- Molecular weight
- 563.08
Names & synonyms
n-TetracontaneTETRACONTANE4181-95-7UNII-I79S9IXB9YI79S9IXB9YEINECS 224-055-7AI3-36490DTXSID2063341nTetracontaneRefChem:188450DTXCID4039990224-055-7
Show more names
TETRACONTANE(SG)ALKANE C40TETRACOTANETetracontane>Tetracontane,98%TETRACONTANE 98%n-Tetracontane,97+%n-Tetracontane(C40)
KUPLEGDPSCCPJI-UHFFFAOYSA-NMFCD00015267C40H82SCHEMBL198673SCHEMBL198674SCHEMBL201142SCHEMBL201935SCHEMBL988040
Database identifiers
- CAS
4181-95-7- PubChem CID
- 20149
- DTXSID
DTXSID2063341- UNII
- I79S9IXB9Y
- EC Number
- 224-055-7
- Nikkaji
- J192.726D
Properties
Computed structural properties
- XLogP
- 21.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 37
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 361
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
Physical DescriptionWhite flakes; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 80 · 80-84 °C(lit.)
- Boiling point
- 150 °C/0.001mm · 150°C/0.001mm
- Density
- 0.7785 · 0.7785
- refractive index
- 1.4719 · 1.4719 (estimate)
- Flash point
- 150 °C/0.001mm · 150°C/0.001mm
- storage temp.
- room temp
- form
- Powder or Flaky Solid
- color
- White
- Water Solubility
- Soluble in chloroform. Slightly soluble in methanol.Insoluble in water.
- BRN
- 1800152 · 1800152
- Major Application
- petroleum
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
This chemical does not meet GHS hazard criteria for 100% (7 of 7) of all reports.
Not Classified
Aggregated GHS information provided per 7 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationTetracontane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29011000
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationTetracontane: ACTIVE
Applications
Usesn-Tetracontane is used in a passivation layer in copper-phthalocyanine field-effect transistors for improving the charge carrier mobility and used to modify the quasi two-dimensional surface electron system on Au(111).
UsesTetracontane is a long chain n-alkane that has been used as a prototype of linear polyethylene to understand the phase behavior of polymer solution.
General DescriptionTetracontane belongs to the class of saturated hydrocarbons.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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