3-Methyltetradecane
Basic information
- CAS
18435-22-8- Standard SMILES
CCCCCCCCCCCC(C)CC- InChIKey
HXUYUZCPGPKNGS-UHFFFAOYSA-N- Molecular formula
- C15H32
- Average molar mass
- 212.41 g/mol
- Monoisotopic mass
- 212.25040102
Overview
3-methyltetradecane is an alkane.
Names & identifiers
- Preferred name
- 3-Methyltetradecane
- IUPAC
- 3-methyltetradecane
- English name
- Tetradecane, 3-methyl-
- Molecular formula
- C15H32
- Molecular weight
- 212.41
Names & synonyms
3-MethyltetradecaneTetradecane, 3-methyl-3-Methyl-TetradecaneMSN3UE2UV3UNII-MSN3UE2UV3DTXSID10897342Tetradecane, 3methylRefChem:94966DTXCID101326707HXUYUZCPGPKNGS-UHFFFAOYSA-N18435-22-83-methyl tetradecane
Show more names
3-methyldecatetralkane
SCHEMBL101543SCHEMBL104583SCHEMBL347543SCHEMBL671909SCHEMBL5049912SCHEMBL5683912SCHEMBL5985829CHEBI:184718
Database identifiers
- CAS
18435-22-8- PubChem CID
- 86735
- DTXSID
DTXSID10897342- ChEBI
CHEBI:184718- UNII
- MSN3UE2UV3
- Nikkaji
- J530.296J
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 107
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Boiling Point264.00 to 265.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Melting point
- -32 °C · -32°C
- Boiling point
- 266.3 °C · 266.3°C
- Density
- 0.7682 · 0.7682
- refractive index
- 1.4313 · 1.4313
- Henry's Law Constant
- 5.1 · 5.1×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- LogP
- 8.194 · 8.194 (est)
- FDA UNII
- 3 UE2UV3 · MSN3UE2UV3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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 data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: 3-Methyltetradecane is an alkane.
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Related reactions
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Compound notes
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