Basic information
- CAS
628-80-8- Standard SMILES
CCCCCOC- InChIKey
DBUJFULDVAZULB-UHFFFAOYSA-N- Molecular formula
- C6H14O
- Average molar mass
- 102.17 g/mol
- Monoisotopic mass
- 102.10446507
Names & identifiers
- Preferred name
- Ether, methyl pentyl
- IUPAC
- 1-methoxypentane
- English name
- 1-METHOXYPENTANE
- Molecular formula
- C6H14O
- Molecular weight
- 102.17
Names & synonyms
1-MethoxypentaneAmyl methyl etherMethyl pentyl etherEther, methyl pentylPentyl methyl ether628-80-8Pentane, 1-methoxy-Methyl amyl ethern-Amyl methyl etherBRN 1731334DTXSID402118901Methoxypentane
Show more names
nAmyl methyl etherPentane, 1methoxyRefChem:592690Pentane, 1methoxy (9CI)Pentane, 1-methoxy-(9CI)DTXCID70134381Butane, methoxymethyl-methoxypentane
Database identifiers
- CAS
628-80-8- PubChem CID
- 69412
- DTXSID
DTXSID40211890- Nikkaji
- J45.674H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 27.4
Experimental & physicochemical properties
SolventsSolvents -> Ethers (<C12)
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- -105.78 °C · -105.78°C (estimate)
- Boiling point
- 98.85 °C · 98.85°C
- Density
- 0.7558 · 0.7558
- refractive index
- 1.385 · 1.3850
- Henry's Law Constant
- 3.8 · 3.8×10-3 mol/(m3Pa) at 25℃, Yaws (2003)
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 SummaryCauses general anesthesia in inhalation lethal-concentration studies of mice; [RTECS]
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (mouse) = 133,000 mg/m3/15min
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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