ChemicalBook > CAS DataBase List > 3-HEPTEN-2-ONE

3-HEPTEN-2-ONE

CAS No.1119-44-4
Chemical Name:3-HEPTEN-2-ONE
CBNumber:CB6164911
Molecular Formula:C7H12O
Formula Weight:112.17
MOL File:1119-44-4.mol

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
Substances Added to Food (formerly EAFUS) 3-HEPTEN-2-ONE
CAS DataBase Reference 1119-44-4(CAS DataBase Reference)
FDA UNII TK02T5FJDO
EPA Substance Registry System 3-Hepten-2-one (1119-44-4)
UNSPSC Code 12164502

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

NFPA 704:

	2
0		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H226
Precautionary statements P210-P240-P241-P280a-P303+P361+P353-P501a

3-HEPTEN-2-ONE Price More Price(2)

Brand: Sigma-Aldrich(India)
Product number: W340000
Product name : Coconut ketone solution
Purity: 10?wt. % in ethanol, natural (US)
Packaging: 1SAMPLE-K
Price: ₹10269
Updated: 2022/06/14
Buy: Buy

Brand: TCI Chemicals (India)
Product number: H0838
Product name : 3-Hepten-2-one
Purity: min. 95.0 %
Packaging: 25ML
Price: ₹4700
Updated: 2022/05/26
Buy: Buy

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/