Basic information
- CAS
1560-84-5- Standard SMILES
CCCCCCCCCCCCCCCCCCC(C)C- InChIKey
MLKZKPUBHSWMNA-UHFFFAOYSA-N- Molecular formula
- C21H44
- Average molar mass
- 296.6 g/mol
- Monoisotopic mass
- 296.3443014
Overview
2-methylicosane is a branched alkane consisting of icosane bearing a single methyl substituent at position 2.
Names & identifiers
- Preferred name
- 2-Methyleicosane
- IUPAC
- 2-methylicosane
- English name
- 2-Methyleicosane
- Molecular formula
- C21H44
- Molecular weight
- 296.57
Names & synonyms
2-Methyleicosane1560-84-5RefChem:476042680-582-62-MethylicosaneIsoheneicosaneEicosane, 2-methyl-52845-08-694A1IJ5F09isohenicosane2-Methylicosane #Eicosane, 2-methyl
Show more names
eicosane,2-methyl-2-Methyleicosane in isooctane
SCHEMBL101412UNII-94A1IJ5F09QSPL 048SCHEMBL1443584SCHEMBL4218789SCHEMBL4218791SCHEMBL5985370SCHEMBL6984187
Database identifiers
- CAS
1560-84-5、52845-08-6- PubChem CID
- 519146
- DTXSID
DTXSID301361171- ChEBI
CHEBI:132293- UNII
- 94A1IJ5F09
- EC Number
- 680-582-6
- Nikkaji
- J108.284A
Properties
Computed structural properties
- XLogP
- 11.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 17
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 25.2 °C · 25.2°C (estimate)
- Boiling point
- 351.08 °C · 351.08°C (estimate)
- Density
- 0.7824 · 0.7824 (estimate)
- refractive index
- 1.437 · 1.4370 (estimate)
- Water Solubility
- 0.000151 ug/L · 0.000151ug/L(23 ºC)
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Suppliers9 total
坛墨质检科技股份有限公司4008-099-669 · [email protected]
Carbone Scientific CO., LTD[email protected]
LGC Standards[email protected]
CLEARSYNTH LABS LTD.+91-22-45045900 · [email protected]
CHEMSAMPCO[email protected]
NARCHEM[email protected]
CHIRON[email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
3B Scientific Corporation[email protected]
Additional notes
DefinitionChEBI: 2-methylicosane is a branched alkane consisting of icosane bearing a single methyl substituent at position 2.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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