Cas no 763-93-9 (3-Hexen-2-one)

3-Hexen-2-one (CAS 2497-21-4) is an unsaturated ketone with the molecular formula C6H10O. This compound features a conjugated double bond and carbonyl group, making it a versatile intermediate in organic synthesis. Its α,β-unsaturated structure allows for applications in Michael additions, cyclizations, and other nucleophilic reactions. 3-Hexen-2-one is commonly used in the production of flavors, fragrances, and pharmaceuticals due to its reactive functionality and ability to form complex heterocycles. The compound exhibits moderate volatility and a characteristic green, fruity odor. Its well-defined reactivity profile and stability under controlled conditions make it a valuable reagent for fine chemical synthesis and research applications.

3-Hexen-2-one structure

Product Name:3-Hexen-2-one

CAS No:763-93-9

MF:C₆H₁₀O

MW:98.1430020332336

CID:571785

PubChem ID:5367744

Update Time:2025-05-27

3-Hexen-2-one Chemical and Physical Properties

Names and Identifiers

- 3-Hexen-2-one
- 1-Butenyl methyl ketone
- Hex-3-en-2-one
- Methyl 1-butenyl ketone
- hexen-2-a1
- AKOS025243528
- DTXSID40870764
- FT-0654320
- Hexenone
- hex-3-en-5-one
- (3E)-3-Hexen-2-one
- 5A3B3N6UGZ
- F73085
- 3-hexen-2-on
- A826417
- LMFA12000019
- trans-hex-3-en-2-one
- EN300-1828247
- (3E)-hex-3-en-2-one
- 3-hexen-2-one(E)
- 4376-23-2
- 3-hexene-2-one
- 3-Hexen-2-one, (3E)-
- 3E-Hexene-2-one
- DTXSID801015852
- methyl-alpha-butenyl-ketone
- CHEBI:141566
- Hex-3-en-2-on
- J-502037
- (E)-3-hexen-2-one
- (E)-hex-3-en-2-one
- trans-hexen-2-al
- AKOS015915359
- (3e)-3-hexene-2-one
- 763-93-9
- trans-3-hexen-2-one
- 215457-81-1
- Inchi： 1S/C6H10O/c1-3-4-5-6(2)7/h4-5H,3H2,1-2H3/b5-4+
- InChI Key： LPCWMYHBLXLJJQ-SNAWJCMRSA-N
- SMILES： O=C(C)/C=C/CC

Computed Properties

Exact Mass: 98.0732
Monoisotopic Mass: 98.073164938g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 7
Rotatable Bond Count: 2
Complexity: 82.2
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 1
Undefined Bond Stereocenter Count: 0
Surface Charge: 0
Tautomer Count: 5
XLogP3: 1.2
Topological Polar Surface Area: 17.1?2

Experimental Properties

Density: 0.8655
Melting Point: -71.05°C (estimate)
Boiling Point: 138.68°C (estimate)
Refractive Index: 1.4418
PSA: 17.07

3-Hexen-2-one Pricemore >>

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