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ChemicalBook--->CAS DataBase List--->1669-44-9

1669-44-9

1669-44-9 Structure

1669-44-9 Structure
IdentificationMore
[Name]

3-OCTEN-2-ONE
[CAS]

1669-44-9
[Synonyms]

3-OCTEN-2-ONE
FEMA 3416
TRANS-3-OCTEN-2-ONE
(3E)-3-Octen-2-one
oct-3-en-2-one
3-OCTEN-2-ONE 98%
[EINECS(EC#)]

216-793-3
[Molecular Formula]

C8H14O
[MDL Number]

MFCD00015565
[Molecular Weight]

126.2
[MOL File]

1669-44-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

-66.9°C (estimate)
[Boiling point ]

100 °C18 mm Hg(lit.)
[density ]

0.857 g/mL at 25 °C(lit.)
[FEMA ]

3416
[refractive index ]

n20/D 1.448(lit.)
[Fp ]

130 °F
[form ]

clear liquid
[color ]

Colorless to Yellow to Green
[Odor]

at 1.00 % in dipropylene glycol. earthy spicy herbal sweet mushroom hay blueberry
[Odor Type]

earthy
[JECFA Number]

1128
[BRN ]

1742230
[LogP]

2.16
[CAS DataBase Reference]

1669-44-9(CAS DataBase Reference)
[EPA Substance Registry System]

3-Octen-2-one (1669-44-9)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 1224 3/PG 3
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29337900
Hazard InformationBack Directory
[Description]

May be synthesized by bubbling air in a solution of an organoborane derivative of 1-butene and l-butyn-2-one in tetrahydrofuran.
[Chemical Properties]

3-Octen-2-one has a fruity, lemon odor.
[Chemical Properties]

clear colorless to light yellow liquid
[Occurrence]

Reported found in roasted filberts, asparagus, baked potato, fish, cooked chicken and beef, white wine, peanuts, pecan, oats, soybean, mushroom, trassi, fenugreek, coriander seed, rice bran, cooked scented rice and corn tortillas.
[Definition]

ChEBI: 3-Octen-2-one is an olefinic compound. It is functionally related to an acrylic acid.
[Preparation]

By bubbling air in a solution of an organoborane derivative of 1-butene and 1-butyn-2-one in tetrahydrofuran.
[Taste threshold values]

Taste characteristics at 5 ppm: creamy, earthy, oily, with mushroom nuances.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 43, p. 710, 1978 DOI: 10.1021/jo00398a042
Synthetic Communications, 19, p. 501, 1989 DOI: 10.1080/00397918908050692
Spectrum DetailBack Directory
[Spectrum Detail]

3-OCTEN-2-ONE(1669-44-9)MS
3-OCTEN-2-ONE(1669-44-9)1HNMR
3-OCTEN-2-ONE(1669-44-9)13CNMR
3-OCTEN-2-ONE(1669-44-9)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Octen-2-one, 97%(1669-44-9)
[TCI AMERICA]

3-Octen-2-one,>96.0%(GC)(1669-44-9)
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