3-Hepten-2-one
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3-Hepten-2-one
structure -
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CAS No:
1119-44-4
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Formula:
C7H12O
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Chemical Name:
3-Hepten-2-one
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Synonyms:
3-Hepten-2-one
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CAS No:
Description
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. 3-Hepten-2-one has a powerful, green-grassy, pungent odor.3-Hepten-2-one is a kind of ketone derivative that can be used as a favoring and fragrance agents. 3-Hepten-2-
Characteristics
17.1
1.93170
Colourless oily liquid; powerfull grassy-green pungent odour
0.853 g/cm3 @ Temp: 25 °C
157 °C
49°C
1.445
Soluble in alcohol and slightly soluble in water(3087 mg/L @ 25°C (est.))
2.7mmHg at 25°C
Safety Information
III
3
1224
3
10-11-36/37/38
16-26
F,Xi
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
H226
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1443 companies from 5 notifications to the ECHA C&L Inventory.
3-Hepten-2-one Use and Manufacturing
The cis form is obtained by reacting 1-pentyne with acetic anhydride to obtain 3-heptyn-2-one, which is then partially catalytically hydrogenated. The trans form is obtained by treating trans-2-hexenoic acid with methyl lithium. It is obtained by condensation of butyraldehyde and acetone under alkaline conditions
GB 2760-1996 stipulates the permitted food spices.
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:112.17
XLogP3:1.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:112.088815002
Monoisotopic Mass:112.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:92.6
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 3-Hepten-2-one
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![China]()
CN
5 YRS
Business licensed Certified factoryManufactory Supplier of Active Pharm Ingredients,Chemical Catalyst,Pharmaceutical Intermediates,Flavors and Fragrances,Agrochemicals,Chemical Pesticides,Organic Intermediates,OLED IntermediatesInquiryCAS No.: 1119-44-4Grade: Food GradeContent: 99%
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