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3-HEPTEN-2-ONE

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3-HEPTEN-2-ONE Basic information
Product Name:3-HEPTEN-2-ONE
Synonyms:METHYL PENTENYL KETONE;FEMA 3400;3-HEPTEN-2-ONE;hept-3-en-2-one;(E)-hept-3-en-2-one;Coconut ketone solution;3-Hepten-2-one>;3-HEPTEN-2-ONE USP/EP/BP
CAS:1119-44-4
MF:C7H12O
MW:112.17
EINECS:214-278-8
Product Categories:
Mol File:1119-44-4.mol
3-HEPTEN-2-ONE Structure
3-HEPTEN-2-ONE Chemical Properties
Boiling point 63°C 13mm
density 0,86 g/cm3
FEMA 3400 | 3-HEPTEN-2-ONE
refractive index 1.4450
Fp 49°C
storage temp. Storage temp. 2-8°C
form clear liquid
color Colorless to Light yellow to Light orange
Odorat 10.00 % in dipropylene glycol. green grassy caraway
Odor Typegreen
Water Solubility Soluble in alcohol and slightly soluble in water(3087 mg/L @ 25°C (est.))
JECFA Number1127
BRN 1739239
InChI1S/C7H12O/c1-3-4-5-6-7(2)8/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyJHHZQADGLDKIPM-AATRIKPKSA-N
SMILESCCC\C=C\C(C)=O
LogP1.63
CAS DataBase Reference1119-44-4(CAS DataBase Reference)
EPA Substance Registry System3-Hepten-2-one (1119-44-4)
Safety Information
Hazard Codes F,Xi
Risk Statements 10-11-36/37/38
Safety Statements 16-26
RIDADR 1224
WGK Germany 3
TSCA TSCA listed
HazardClass 3
PackingGroup III
HS Code 2914199090
Storage Class3 - Flammable liquids
Hazard ClassificationsEye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
ALFA English
3-HEPTEN-2-ONE Usage And Synthesis
Description3-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 Properties3-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 Properties3-Hepten-2-one has a powerful, green-grassy, pungent odor.
OccurrenceReported found in (Byrsinoma crassifolia), red and green pepper, capsicum varieties, hop oil and roasted flbert
UsesIt 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.
DefinitionChEBI: 3-Hepten-2-one is an enone.
PreparationBy 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 valuesDetection: 56 ppb; aroma characteristics at 1.0%: pungent, dairy, creamy, slightly ketonic, sour milky, blue cheese, waxy, earthy mushroom.
Taste threshold valuesTaste characteristics at 5 ppm: creamy, dairy, waxy, stale milky, blue cheese and cheese rind with ripe, slightly moldly stale milk with a good mouthfeel.
Referenceshttps://pubchem.ncbi.nlm.nih.gov/compound/5364578#section=2D- Structure
http://www.thegoodscentscompany.com/data/rw1008511.html
https://www.alfa.com/en/catalog/A19086/
3-HEPTEN-2-ONE Preparation Products And Raw materials
Raw materialsButyraldehyde-->3-HEXYNE-->1-PENTYNE-->CIS-2-HEXENE
Preparation ProductsSethoxydim-->5-(2-ETHYLTHIO PROPYL)-1,3-CYCLOHEXANEDIONE
Tag:3-HEPTEN-2-ONE(1119-44-4) Related Product Information
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