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ChemicalBook--->CAS DataBase List--->109-49-9

109-49-9

109-49-9 Structure

109-49-9 Structure
IdentificationMore
[Name]

Allylacetone
[CAS]

109-49-9
[Synonyms]

3-BUTEN-1-YL METHYL KETONE
5-HEXEN-2-ONE
5-HEXENE-2-ONE
ALLYLACETONE
TIMTEC-BB SBB009089
1-Hexen-5-one
hex-5-
hex-5-en-2
hex-5-en-2-one
5-HEXEN-2-ONE 98+%
Methyl(3-butenyl) ketone
[EINECS(EC#)]

203-675-1
[Molecular Formula]

C6H10O
[MDL Number]

MFCD00008793
[Molecular Weight]

98.14
[MOL File]

109-49-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

-71.05°C (estimate)
[Boiling point ]

128-129 °C(lit.)
[density ]

0.847 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.419(lit.)
[Fp ]

75 °F
[storage temp. ]

Flammables area
[form ]

clear liquid
[color ]

Colorless to Light yellow to Light orange
[Specific Gravity]

0.847
[Odor]

at 100.00 %. ethereal floral
[Odor Type]

ethereal
[Water Solubility ]

Soluble in water.
[BRN ]

1699137
[LogP]

1.020
[CAS DataBase Reference]

109-49-9(CAS DataBase Reference)
[EPA Substance Registry System]

5-Hexen-2-one (109-49-9)
Safety DataBack Directory
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 1224 3/PG 3
[WGK Germany ]

3
[F ]

10
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29141990
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

allylacetone(109-49-9).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Uses]

Allyl Acetone is used as a nature identical flavor and fragrance. And it is also used to produce 2-methyl-hex-5-en-2-ol.
[Uses]

Intermediate in pharmaceutical synthesis, perfumes, fungicides, insecticides, fine chemicals.
[Definition]

ChEBI: 5-hexen-2-one is a ketone.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 54, p. 2726, 1989 DOI: 10.1021/jo00272a050
Tetrahedron Letters, 25, p. 5467, 1984 DOI: 10.1016/S0040-4039(01)81600-2
Spectrum DetailBack Directory
[Spectrum Detail]

Allylacetone(109-49-9)MS
Allylacetone(109-49-9)1HNMR
Allylacetone(109-49-9)13CNMR
Allylacetone(109-49-9)IR1
Allylacetone(109-49-9)IR2
Allylacetone(109-49-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Hexen-2-one, 98%(109-49-9)
[Alfa Aesar]

5-Hexen-2-one, 98+%(109-49-9)
[Sigma Aldrich]

109-49-9(sigmaaldrich)
[TCI AMERICA]

5-Hexen-2-one,>98.0%(GC)(109-49-9)
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