3-HEPTEN-2-ONE

Synonym(s):3-Hepten-2-one

CAS NO.：1119-44-4
Empirical Formula: C7H12O
Molecular Weight: 112.17
MDL number: MFCD00015564
EINECS: 214-278-8
SAFETY DATA SHEET (SDS)
Update Date: 2023-12-05 08:27:44

What is 3-HEPTEN-2-ONE?

Description

3-Hepten-2-one is a kind of ketone derivative that can be used as a favoring and fragrance agents. 3-Hepten-2-one belongs to the family of Acryloyl Compounds. It has a powerful, green grassy and caraway odor. It can be used to supply a green note to fruity compositions. It has creamy flavor to be used as caraway, passion fruit and pineapple flavors. This ketone can provide lingering rich after- notes to dairy product such as custard, melted butter, creams and cheers. It is also useful in fatty nut application such as Brazil and pine nuts. It is also useful for the production of heptan-2-one.

Chemical properties

3-Hepten-2-one has a powerful green-grassy, pungent odor. It may be synthesized by reacting 1-pentyne with acetic anhydride to yield 3-heptyn-2-one, which is then converted to cis-3-hepten-2-one by partial catalytic hydrogenation; the trans-form is probably obtained from trans-2 -hexenic acid treated with methyl lithium.

Chemical properties

3-Hepten-2-one has a powerful, green-grassy, pungent odor.

Occurrence

Reported found in (Byrsinoma crassifolia), red and green pepper, capsicum varieties, hop oil and roasted flbert

The Uses of 3-HEPTEN-2-ONE

It is used in most dairy flavors to add greater depth. This ketone will add lingering rich after-notes, to many processed dairy products such as custard, melted butter, creams and cheeses (Brie, Gorgonzola and blue cheeses). Also beneficial in fatty nut applications (brazil and pine nuts, cashews). It is also used to produce Heptan-2-one.

Preparation

By reacting 1-pentyne with acetic anhydride to yield 3-heptyn-2-one, which is then converted to cis-3-hepten-2-one by partial catalytic hydrogenation; the trans-form is probably obtained from trans-2-hexenic acid treated with methyl lithium.

Definition

ChEBI: 3-Hepten-2-one is an enone.

Aroma threshold values

Detection: 56 ppb; aroma characteristics at 1.0%: pungent, dairy, creamy, slightly ketonic, sour milky, blue cheese, waxy, earthy mushroom.

Taste threshold values

Taste characteristics at 5 ppm: creamy, dairy, waxy, stale milky, blue cheese and cheese rind with ripe, slightly moldly stale milk with a good mouthfeel.

References

https://pubchem.ncbi.nlm.nih.gov/compound/5364578#section=2D- Structure
http://www.thegoodscentscompany.com/data/rw1008511.html
https://www.alfa.com/en/catalog/A19086/

Properties of 3-HEPTEN-2-ONE

Boiling point:	63°C 13mm
Density	0,86 g/cm³
refractive index	1.4450
FEMA	3400 \| 3-HEPTEN-2-ONE
Flash point:	49°C
form	clear liquid
color	Colorless to Light yellow to Light orange
Odor	at 10.00 % in dipropylene glycol. green grassy caraway
Water Solubility	Soluble in alcohol and slightly soluble in water(3087 mg/L @ 25°C (est.))
JECFA Number	1127
BRN	1739239
CAS DataBase Reference	1119-44-4(CAS DataBase Reference)
EPA Substance Registry System	3-Hepten-2-one (1119-44-4)

Safety information for 3-HEPTEN-2-ONE

Signal word	Warning
Pictogram(s)	Flame Flammables GHS02
GHS Hazard Statements	H226:Flammable liquids
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.