2,2,4-Trimethylheptane
Basic information
- CAS
14720-74-2- Standard SMILES
CCCC(C)CC(C)(C)C- InChIKey
IIYGOARYARWJBO-UHFFFAOYSA-N- Molecular formula
- C10H22
- Average molar mass
- 142.28 g/mol
- Monoisotopic mass
- 142.1721507
Names & identifiers
- Preferred name
- 2,2,4-Trimethylheptane
- IUPAC
- 2,2,4-trimethylheptane
- English name
- 2,2,4-Trimethylheptane.
- Molecular formula
- C10H22
- Molecular weight
- 142.28
Names & synonyms
2,2,4-TRIMETHYLHEPTANEHeptane, 2,2,4-trimethyl-DTXSID20871234RefChem:80883Heptane, 2,2,4trimethylDTXCID00818905IIYGOARYARWJBO-UHFFFAOYSA-N14720-74-22,2,4-Trimethylheptane.MFCD28361491SCHEMBL597865SCHEMBL647557
Show more names
SCHEMBL1970099SCHEMBL2285974SCHEMBL5663155SCHEMBL8508825SCHEMBL8642915SCHEMBL17559978PAA72074AS-78054
Database identifiers
- CAS
14720-74-2- PubChem CID
- 26839
- DTXSID
DTXSID20871234- Nikkaji
- J110.594I
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 76.5
Experimental & physicochemical properties
SolventsSolvents -> Aliphatics, Saturated (<C12)
Physicochemical properties
- Melting point
- -53.99 °C · -53.99°C
- Boiling point
- 148.31 °C · 148.31°C
- Density
- 0.724 · 0.7240
- refractive index
- 1.4069 · 1.4069
- Henry's Law Constant
- 1.2 · 1.2×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- LogP
- 5.392 · 5.392 (est)
- EPA Substance Registry System
- 2 · Heptane, 2,2,4-trimethyl- (14720-74-2)
- 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.
Hazard information
Hazards SummarySee n-Decane.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2,2,4-Trimethylheptane is used as a component of jet fuels.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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