3-OCTEN-2-ONE

3-OCTEN-2-ONE Basic information
Product Name:3-OCTEN-2-ONE
Synonyms:3-OCTEN-2-ONE;TRANS-3-OCTEN-2-ONE;oct-3-en-2-one;3-OCTEN-2-ONE 98%;3-Octen-2-one,98%;1-Hexenyl methyl ketone;(3E)-3-Octen-2-one;FEMA 3416
CAS:1669-44-9
MF:C8H14O
MW:126.2
EINECS:216-793-3
Product Categories:
Mol File:1669-44-9.mol
3-OCTEN-2-ONE Structure
3-OCTEN-2-ONE Chemical Properties
Melting point -66.9°C (estimate)
Boiling point 100 °C18 mm Hg(lit.)
density 0.857 g/mL at 25 °C(lit.)
FEMA 3416 | 3-OCTEN-2-ONE
refractive index n20/D 1.448(lit.)
Fp 130 °F
form clear liquid
color Colorless to Yellow to Green
Odorat 1.00 % in dipropylene glycol. earthy spicy herbal sweet mushroom hay blueberry
Odor Typeearthy
JECFA Number1128
BRN 1742230
LogP2.16
CAS DataBase Reference1669-44-9(CAS DataBase Reference)
EPA Substance Registry System3-Octen-2-one (1669-44-9)
Safety Information
Hazard Codes Xi
Risk Statements 10-36/37/38
Safety Statements 16-37-26
RIDADR UN 1224 3/PG 3
WGK Germany 3
TSCA Yes
HazardClass 3
PackingGroup III
HS Code 29337900
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
3-OCTEN-2-ONE Usage And Synthesis
DescriptionMay be synthesized by bubbling air in a solution of an organoborane derivative of 1-butene and l-butyn-2-one in tetrahydrofuran.
Chemical Properties3-Octen-2-one has a fruity, lemon odor.
Chemical Propertiesclear colorless to light yellow liquid
OccurrenceReported 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.
DefinitionChEBI: 3-Octen-2-one is an olefinic compound. It is functionally related to an acrylic acid.
PreparationBy bubbling air in a solution of an organoborane derivative of 1-butene and 1-butyn-2-one in tetrahydrofuran.
Taste threshold valuesTaste 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
3-OCTEN-2-ONE Preparation Products And Raw materials
Raw materials1-(3-Butyloxiranyl)ethanone-->3-OCTYN-2-ONE-->3-OCTEN-2-OL-->2-OCTEN-4-ONE-->2-Octanone-->1-OCTENE-->1-Hexene-->Acetyl chloride-->Acetone-->Valeraldehyde
Preparation Products2-methyl-3-pentyloxirane-->1-methylpentyl acetate
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