(E)-6-methyl-3-hepten-2-one 20859-10-3

(E)-6-methyl-3-hepten-2-one

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IUPAC name :

(E)-6-methylhept-3-en-2-one

InChI :

InChI=1/C8H14O/c1-7(2)5-4-6-8(3)9/h4,6-7H,5H2,1-3H3/b6-4+

InChIKey :

RSNMTAYSENLHOW-GQCTYLIABC

SMILES :

CC(C)C\C=C\C(=O)C

cas number :	20859-10-3
fema number :	4001
jecfa number :	1138
fl. number :	07.244
molar refractivity :	39.15 ± 0.3 cm3
parachor :	340.0 ± 4.0 cm3
index of refraction :	1.429 ± 0.02
surface tension :	25.2 ± 3.0 dyne/cm
density :	0.831 ± 0.06 g/cm3
polarizability :	15.52 ± 0.5 10-24cm3
xlogp :	2.50
molecular weight :	126.1961600
formula :	C8 H14 O

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Fontarome Chemical :

6-METHYL 3 HEPTEN 2 ONE

organoleptics :

odor type :

herbal

odor strength :

high ,
recommend smelling in a 1.00 % solution or less

odor description :
at 1.00 % in dipropylene glycol.

oily green herbal

properties :

appearence :

colorless clear liquid

assay :

97.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.84000 to 0.85000 @ 25.00 °C.

pounds per gallon - calc. :

6.990 to 7.073

refractive index :

1.43800 to 1.44700 @ 20.00 °C.

boiling point :

170.00 to 178.00 °C. @ 760.00 mm Hg

logp :

1.97

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

145.00 °F. TCC ( 62.78 °C. )

recommendation for (E)-6-methyl-3-hepten-2-one usage levels up to :

0.4000 % in the fragrance concentrate.

Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).

publication number : 20.

average usual ppm

average maximum ppm

baked goods :

3.00000

6.00000

beverages(nonalcoholic) :

1.00000

1.50000

beverages(alcoholic) :

1.00000

1.50000

breakfast cereal :

cheese :

chewing gum :

condiments / relishes :

confectionery froastings :

egg products :

fats / oils :

fish products :

frozen dairy :

2.00000

4.00000

fruit ices :

gelatins / puddings :

granulated sugar :

gravies :

hard candy :

2.00000

4.00000

imitation dairy :

1.00000

2.00000

instant coffee / tea :

jams / jellies :

meat products :

milk products :

nut products :

other grains :

poultry :

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

snack foods :

soft candy :

1.00000

2.00000

soups :

sugar substitutes :

sweet sauces :

safety references :

EPI System :

view

(E)-6-methylhept-3-en-2-one

chemidplus :

002009747

EPA Substance Registry Services :

20859-10-3

NLM Chemical Carcinogenesis Research Information System :

20859-10-3

NLM Developmental and Reproductive Toxicity :

20859-10-3

NLM Env. Mutagen Info. Center :

20859-10-3

NLM GENetic TOXicology :

20859-10-3

references :

(E)-6-methylhept-3-en-2-one

jecfa number :

1138

fl. number :

07.244

pubchem :

713603

NIST Chemistry WebBook :

809870182

other :

synonyms :
(E)-6-	methyl hept-3-en-2-one
(E)-6-	methyl-3-hepten-2-one
trans-6-	methyl-3-hepten-2-one
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
alpha-	amyl cinnamyl formate
	bark carbaldehyde
	benzyl benzoate
	benzyl salicylate
	coriander heptenol
	dihydroisojasmonate
	gardenia pentyl acetate
(E,E)-2,4-	heptadien-1-al
delta-	heptalactone
1-	hepten-3-ol
	heptyl octanoate
	herbal carbonate
(Z)-3-	hexen-1-yl pyruvate
	hexyl tiglate
	jasmin acetoacetate
	methyl epi-jasmonate
	methyl jasmonate
2-	methyl-2-butenol
	nerolidyl isobutyrate
1-	octen-3-ol
	octyl butyrate
	privet dioxane
iso	propyl 2-methyl butyrate
	sorbyl acetate
	valencene
	violet decenol
	violet leaf absolute
	woody acetate
(odor and/or flavor) used in :
	balsam
	fir
	floral
	green
	herbal
	pine
natural occurrence in :
	found in nature

information only - not sold by The Good Scents Company.

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