Basic information
- CAS
2847-72-5- Standard SMILES
CCCCCCC(C)CCC- InChIKey
DVWZNKLWPILULD-UHFFFAOYSA-N- Molecular formula
- C11.H24
- Average molar mass
- 156.31 g/mol
- Monoisotopic mass
- 156.18780077
Overview
4-methyldecane is an alkane.
Names & identifiers
- Preferred name
- 4-Methyldecane
- IUPAC
- 4-methyldecane
- English name
- 4-METHYLDECANE
- Molecular formula
- C11H24
- Molecular weight
- 156.31
Names & synonyms
4-METHYLDECANE2847-72-5DTXSID408630354Methyl decaneDecane, 4methylRefChem:525582DTXCID40811718Decane, 4-methyl-xi-4-Methyldecane4-methyl-decanestarbld00462394-METHYL DECANE
Show more names
decane,4-methyl-4-METHYLDECANE 99%4-Methyldecane in isooctane
SCHEMBL45296SCHEMBL99861SCHEMBL101066SCHEMBL199550SCHEMBL308118SCHEMBL872663orb1986167SCHEMBL2342264
Database identifiers
- CAS
2847-72-5- PubChem CID
- 17835
- DTXSID
DTXSID40863035- ChEBI
CHEBI:88816- Nikkaji
- J100.209K
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 66.4
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SolventsSolvents -> Aliphatics, Saturated (<C12)
Density1.4352 @ 20°C
Boiling Point187 °C @760 [mm Hg]
Melting Point-77.5 °C
Physical DescriptionColorless liquid with a pungent, acrid odor; [Chem Service MSDS]
Physicochemical properties
- Melting point
- -92 °C · -92°C
- Boiling point
- 187.9 °C · 187.9°C
- Density
- 0.7385 · 0.7385
- refractive index
- 1.4155 · 1.4155
- Henry's Law Constant
- 1.1 · 1.1×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- LogP
- 6.156 · 6.156 (est)
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 & protection
Protective Action Criteria (PAC)
38 [mg/m3]
420 [mg/m3]
2500 [mg/m3]
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: Xi-4-Methyldecane is an alkane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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