Basic information
- CAS
565-69-5- Standard SMILES
CCC(=O)C(C)C- InChIKey
HYTRYEXINDDXJK-UHFFFAOYSA-N- Molecular formula
- C6H12O
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.088815
Overview
Ethyl isopropyl ketone is a ketone.
Names & identifiers
- Preferred name
- 2-Methyl-3-pentanone
- IUPAC
- 2-methylpentan-3-one
- English name
- 2-Methyl-3-pentanone
- Molecular formula
- C6H12O
- Molecular weight
- 100.16
Names & synonyms
2-METHYL-3-PENTANONE565-69-52-Methylpentan-3-oneEthyl isopropyl ketone3-Pentanone, 2-methyl-4-Methyl-3-pentanoneIsopropyl ethyl ketone2-Methyl-3-pentanaliso-C3H7COC2H5MFCD000093140R392X5X26UNII-0R392X5X26
Show more names
2-Methyl-pentanone2-Methy-3-pentanoneIsopropylethylketone
EINECS 209-288-42-methyl-pentan-3-oneSCHEMBL43655SCHEMBL1254112-Methyl-3-pentanone, 97%SCHEMBL1473173SCHEMBL2045366SCHEMBL2689580
Database identifiers
- CAS
565-69-5- PubChem CID
- 11265
- DTXSID
DTXSID2073196- ChEBI
CHEBI:89215- UNII
- 0R392X5X26
- EC Number
- 209-288-4
- Nikkaji
- J121.212E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 64.6
Experimental & physicochemical properties
SolventsSolvents -> Ketones (<C12)
SpringerMaterials PropertiesBoiling point
Solubility15.5 mg/mL at 25 °C
Boiling Point113.5 °C
Vapor Pressure18.1 [mmHg]
Physical Description
Colorless liquid with a pleasant odor; [Alfa Aesar MSDS]
Liquid
Physicochemical properties
- Melting point
- 116.5 · 116.5-118℃
- Boiling point
- 113 °C · 113 °C (lit.)
- Density
- 0.811 g/mL · 0.811 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.397(lit.)
- Flash point
- 57 °F · 57 °F
- form
- clear liquid
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
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 77 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information3-Pentanone, 2-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryMay cause defatting of the skin; High vapor concentrations may have narcotic effects; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1224 3/PG 2
- hs_code
- 2914.19.0000
- risk_code
- 11
- Signal word
- Danger
- Symbol(GHS)
- GHS02
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
Uses2-Methyl-3-pentanone may be used to study the stereochemistry of ketone enolization by lithium 2, 2, 6, 6-tetramethylpiperidide.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Ethyl isopropyl ketone is a ketone.
Related reactions
8 records
Compound notes
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