Amyl ethyl ether
Basic information
- CAS
17952-11-3- Standard SMILES
CCCCCOCC- InChIKey
VDMXPMYSWFDBJB-UHFFFAOYSA-N- Molecular formula
- C7H16O
- Average molar mass
- 116.2 g/mol
- Monoisotopic mass
- 116.12011513
Names & identifiers
- Preferred name
- Amyl ethyl ether
- IUPAC
- 1-ethoxypentane
- English name
- 1-Ethoxypentane
- Molecular formula
- C7H16O
- Molecular weight
- 116.2
Names & synonyms
Pentane, 1-ethoxy-17952-11-3Ether, ethyl pentylAmyl ethyl etherDTXSID90170822RefChem:1076958DTXCID30933131-EthoxypentaneEthyl pentyl etherEthyl amyl ether1-ethoxy-pentaneNSC-152102
Show more names
n-C5H11OC2H5ethylamyletheramylethylether1-ethoxy-pentanethylpentyletherPentylethyl etherether,ethylpentyl
Butane, ethoxymethyl-EINECS 241-877-1BRN 17315511-Ethoxypentane #ethyl 1-pentyl etherBG9HT4KHP4SCHEMBL45271SCHEMBL57546
Database identifiers
- CAS
17952-11-3- PubChem CID
- 87370
- DTXSID
DTXSID90170822- UNII
- BG9HT4KHP4
- EC Number
- 241-877-1
- Nikkaji
- J99.930J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 35.4
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- -95.35 °C · -95.35°C (estimate)
- Boiling point
- 119.55 °C · 119.55°C
- Density
- 0.7684 · 0.7684 (estimate)
- refractive index
- 1.3914 · 1.3914 (estimate)
- Dielectric constant
- 4 · 4.0(20℃)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 HT4KHP4 · BG9HT4KHP4
- EPA Substance Registry System
- 1 · Pentane, 1-ethoxy- (17952-11-3)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P261-P280
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
- hs_code
- 2909199090
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H226-H315-H319-H335
- Precautionary statements
- P210-P261-P280
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Compound notes
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