3-OCTEN-2-ONE

CAS NO.：1669-44-9
Empirical Formula: C8H14O
Molecular Weight: 126.2
MDL number: MFCD00015565
EINECS: 216-793-3
SAFETY DATA SHEET (SDS)
Update Date: 2024-07-22 15:01:55

What is 3-OCTEN-2-ONE?

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

clear colorless to light yellow liquid

Chemical properties

3-Octen-2-one has a fruity, lemon odor.

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.

Preparation

By bubbling air in a solution of an organoborane derivative of 1-butene and 1-butyn-2-one in tetrahydrofuran.

Definition

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

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

Properties of 3-OCTEN-2-ONE

Melting point:	-66.9°C (estimate)
Boiling point:	100 °C18 mm Hg(lit.)
Density	0.857 g/mL at 25 °C(lit.)
refractive index	n20/D 1.448(lit.)
FEMA	3416 \| 3-OCTEN-2-ONE
Flash point:	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
JECFA Number	1128
BRN	1742230
CAS DataBase Reference	1669-44-9(CAS DataBase Reference)
EPA Substance Registry System	3-Octen-2-one (1669-44-9)

Safety information for 3-OCTEN-2-ONE

Signal word	Warning
Pictogram(s)	Flame Flammables GHS02 Exclamation Mark Irritant GHS07
GHS Hazard Statements	H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up.