3-HEPTEN-2-ONE Property

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

Odor Type

green

Water Solubility 

Soluble in alcohol and slightly soluble in water(3087 mg/L @ 25°C (est.))

JECFA Number

1127

BRN 

1739239

InChIKey

JHHZQADGLDKIPM-AATRIKPKSA-N

LogP

1.63

CAS DataBase Reference

1119-44-4(CAS DataBase Reference)

EPA Substance Registry System

3-Hepten-2-one (1119-44-4)

Safety

Hazard Codes 

F,Xi

Risk Statements 

10-11-36/37/38

Safety Statements 

16-26

RIDADR 

1224

WGK Germany 

3

TSCA 

Yes

HazardClass 

3

PackingGroup 

III

HS Code 

2914199090

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H226Flammable liquid and vapour

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P240Ground/bond container and receiving equipment.

P241Use explosion-proof electrical/ventilating/lighting/…/equipment.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

3-HEPTEN-2-ONE Chemical Properties,Usage,Production

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

Uses

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.

Definition

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

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.

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/