3-Hepten-2-one

Name	3-Hepten-2-one
Synonyms	AI3-22032 FEMA 3400 FEMA No. 3400 3-HEPTEN-2-ONE 3-Hepten-2-one hept-3-en-2-one Butylideneacetone (E)-hept-3-en-2-one (3E)-hept-3-en-2-one METHYL PENTENYL KETONE Methyl pentenyl ketone Coconut ketone solution 3-Hepten-2-one fandachem
CAS	1119-44-4
EINECS	214-278-8
InChI	InChI=1/C7H12O/c1-3-4-5-6-7(2)8/h5-6H,3-4H2,1-2H3/b6-5+
InChIKey	JHHZQADGLDKIPM-AATRIKPKSA-N

Molecular Formula	C7H12O
Molar Mass	112.17
Density	0,86 g/cm3
Boling Point	63°C 13mm
Flash Point	49°C
JECFA Number	1127
Water Solubility	Soluble in alcohol and slightly soluble in water(3087 mg/L @ 25°C (est.))
Vapor Presure	2.7mmHg at 25°C
Appearance	clear liquid
Color	Colorless to Light yellow to Light orange
BRN	1739239
Storage Condition	Room Temprature
Refractive Index	1.4450
MDL	MFCD00015564
Physical and Chemical Properties	Colorless oily liquid with strong sharp grass odor. Boiling point of 162 deg C, CIS 34~39 deg C (1466Pa), trans 51~52 deg C (1466Pa). Relative density, CIS (d420)0.8840, trans (d420)0.8496. Refractive index, CIS (nD20)1.4325, trans (nD20)1.4436. A few insoluble in water, soluble in ethanol and oils. Natural products are present in fried hazelnuts, etc.

Risk Codes	R10 - Flammable R11 - Highly Flammable R36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
UN IDs	1224
WGK Germany	3
TSCA	Yes
Hazard Class	3
Packing Group	III

FEMA	3400 \| 3-HEPTEN-2-ONE
EPA chemical information	Information provided by: ofmpub.epa.gov (external link)
toxicity	GRAS(FEMA).
usage limit	FEMA(mg/kg): soft drinks, cold drinks 1.0; Candy, baked goods, jelly, pudding 2.0; Milk, dairy products 0.7.
use	GB 2760-1996 specified as allowed food spices.
Production method	The cis is formed by the reaction of 1-pentyne and acetic anhydride to obtain 3-heptyne-2-one, which is then partially catalyzed and hydrogenated. Trans are obtained by treating trans-2-hexenoic acid with methyl lithium.

obtained by condensation of butyraldehyde and acetone under alkaline conditions

Last Update：2024-04-09 15:16:47

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