2-Pentanone, 3-ethyl-
Basic information
- CAS
6137-03-7- Standard SMILES
CCC(CC)C(C)=O- InChIKey
GSNKRSKIWFBWEG-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- 2-Pentanone, 3-ethyl-
- IUPAC
- 3-ethylpentan-2-one
- English name
- 3-Ethyl-2-pentanone
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
3-Ethyl-2-pentanone6137-03-72-Pentanone, 3-ethyl-EINECS 228-112-7DTXSID5064122RefChem:88973DTXCID4043018GSNKRSKIWFBWEG-UHFFFAOYSA-N3-Ethylpentan-2-oneMFCD000270803-Acetylpentanediethyl acetone
Show more names
3-ethyl-2-pentanon3-ETHYL-PENTAN-2-ONEMethyl-3-pentylketoneMethyl(1-ethylpropyl) ketone
J3XWN3UJ4M3-Ethyl-2-penten-2-olSCHEMBL5419953-Ethyl-2-hydroxy-2-penteneSCHEMBL4253560SCHEMBL6364039SCHEMBL72130403-Ethyl-2-pentanone, AldrichCPR
Database identifiers
- CAS
6137-03-7- PubChem CID
- 80224
- DTXSID
DTXSID5064122- UNII
- J3XWN3UJ4M
- EC Number
- 228-112-7
- Nikkaji
- J227.319E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72.5
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -46.2 °C · -46.2°C (estimate)
- Boiling point
- 137.85 °C · 137.85°C
- Density
- 0.8144 · 0.8144
- refractive index
- 1.405 · 1.4050
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Colorless to light yellow Liquid
- Henry's Law Constant
- 2.9 · 2.9×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- LogP
- 1.84 · 1.840 (est)
- EPA Substance Registry System
- 2 · 2-Pentanone, 3-ethyl- (6137-03-7)
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H361-H317-H336-H402-H227
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H311 (94.1%): Toxic in contact with skin [Danger Acute toxicity, dermal]
P260, P262, P264, P270, P273, P280, P302+P352, P316, P319, P321, P361+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 17 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (94.1%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H361-H317-H336-H402-H227
- Precautionary statements
- P501-P261-P273-P272-P202-P210-P201-P271-P264-P280-P302+P352-P370+P378-P308+P313-P337+P313-P305+P351+P338-P362+P364-P333+P313-P304+P340+P312-P403+P233-P403+P235-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Pentanone, 3-ethyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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