ChemicalBook--->CAS DataBase List--->4643-27-0

4643-27-0

4643-27-0 Structure

4643-27-0 Structure
IdentificationMore
[Name]

2-OCTEN-4-ONE
[CAS]

4643-27-0
[Synonyms]

2-OCTEN-4-ONE
FEMA 3603
(2E)-2-Octen-4-one
Oct-2-en-4-one
octene-2-one-4
2-Octen-4-one,97%
2-OCTENE-4-ONE
2-Octen-one
[EINECS(EC#)]

225-071-7
[Molecular Formula]

C8H14O
[MDL Number]

MFCD00061023
[Molecular Weight]

126.2
[MOL File]

4643-27-0.mol
Chemical PropertiesBack Directory
[Boiling point ]

65°C/15mm
[density ]

0.850
[FEMA ]

3603
[Fp ]

65°C/15mm
[refractive index ]

1.4450
[storage temp. ]

Refrigerator
[form ]

clear liquid
[color ]

Colorless to Light orange to Yellow
[Odor]

at 1.00 % in dipropylene glycol. yeast jam preserves tropical fruit mushroom metallic
[Odor Type]

yeasty
[Water Solubility ]

Insoluble in water.
[JECFA Number]

1129
[Major Application]

flavors and fragrances
[InChI]

1S/C8H14O/c1-3-5-7-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4+
[InChIKey]

FMDLEUPBHMCPQV-GQCTYLIASA-N
[SMILES]

CCCCC(=O)\C=C\C
[LogP]

2.16
[CAS DataBase Reference]

4643-27-0(CAS DataBase Reference)
[EPA Substance Registry System]

2-Octen-4-one (4643-27-0)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

1993
[WGK Germany ]

WGK 3
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

2914199090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Hazard InformationBack Directory
[Occurrence]

Reported found in roasted hazel nuts, wheaten bread and white bread.
[Uses]

Reactant in the rhodium-catalyzed asymmetric ring opening of oxabicyclic alkenes with organoboronic acids.
[Definition]

ChEBI: 2-Octen-4-one is an enone.
[Taste threshold values]

Taste characteristics at 30 ppm: sweet, fruity, pineapple, strawberry with a ripe tropical nuance.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 107, p. 7179, 1985 DOI: 10.1021/ja00310a073
The Journal of Organic Chemistry, 52, p. 1885, 1987 DOI: 10.1021/jo00386a001
Synthesis, p. 49, 1988
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Octen-4-one, 97%(4643-27-0)
[TCI AMERICA]

2-Octen-4-one,>96.0%(GC)(4643-27-0)
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