filbert heptenone

Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).

IUPAC name :

5-methylhept-2-en-4-one

InChI :

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

InChIKey :

ARJWAURHQDJJAC-UHFFFAOYAA

SMILES :

CCC(C)C(=O)C=CC

cas number :	81925-81-7
fema number :	3761
jecfa number :	1133
fl. number :	07.139
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 :	2.10
molecular weight :	126.1961600
formula :	C8 H14 O

IUPAC name :

(E)-5-methylhept-2-en-4-one

InChI :

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

InChIKey :

ARJWAURHQDJJAC-GQCTYLIABX

SMILES :

CCC(C)C(=O)\C=C\C

cas number :	81925-81-7
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 :	2.10
molecular weight :	126.1961600
formula :	C8 H14 O

IUPAC name :

(Z)-5-methylhept-2-en-4-one

InChI :

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

SMILES :

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

cas number :	81925-81-7
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 :	2.10
molecular weight :	126.1961600
formula :	C8 H14 O

export tariff code :

2914.19.0000

fda reg :

unspecified

Suppliers :

Sigma-Aldrich-SAFC :

5-Methyl-2-hept-4-one

98%, Predominantly trans, Kosher, FG

organoleptics :

odor type :

nutty

odor strength :

medium ,
recommend smelling in a 1.00 % solution or less

odor description :
at 1.00 % in dipropylene glycol.

nutty pungent roasted ketone coffee

properties :

appearence :

colorless to pale yellow clear liquid

assay :

97.00 - 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.84500 - 0.85100 @ 25.00 °C.

pounds per gallon - calc. :

7.031 to 7.081

refractive index :

1.44200 - 1.44600 @ 20.00 °C.

boiling point :

170.00 - 173.00 °C. @ 760.00 mm Hg

logp :

1.97

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

126.00 °F. TCC ( 52.22 °C. )

recommendation for filbert heptenone usage levels up to :

0.2000 % in the fragrance concentrate.

recommendation for filbert heptenone usage levels up to :

1.0000 ppm in the flavor.

safety links :

chemidplus :

epa-srs :

chemidplus :

epa-srs :

chemidplus :

epa-srs :

other :

references :

jecfa number :

fl. number :

pubchem :

pubchem :

NIST Chemistry WebBook :

3687686671

pubchem :

81925-81-7

synonyms :
	filbert heptenone
	filbertone
	hazeltone
5-	methyl hept-2-en-4-one
5-	methyl-2-hept-4-one
soluble in :
	alcohol
	water, 1208 mg/L @ 25C
insoluble in :
	water
(odor and/or flavor) blends with :
	acetyl acetaldehyde dimethyl acetal
2-	acetyl furan
	acetyl propionyl
2-	acetyl pyrazine
3-	acetyl pyridine
2-	acetyl pyrrole
	acetyl pyrroline
2-	acetyl thiazole
2-	acetyl-2-thiazoline
5-	acetyl-2,3-dihydro-1,4-thiazine
3-	acetyl-2,5-dimethyl furan
2-	acetyl-3-ethyl pyrazine
2-	acetyl-3-methyl pyrazine
2-	acetyl-3,5-dimethyl pyrazine
2-	acetyl-5-methyl furan
	allyl 2-ethyl butyrate
iso	amyl nonanoate
alpha-	angelica lactone
	benzothiazole
	benzyl mercaptan
	bornyl isobutyrate
	boronia butenal
	butyl mercaptan
	caramel furanone
	chocolate pyrazine A
	cocoa pyrazine
3,6-	cocoa pyrazine
	coconut absolute
	coffee difuran
	coffee dione
	coffee pyrazine
	coumane
para-	cresyl laurate
	cyclohexyl methyl pyrazine
	dicyclohexyl disulfide
2,5-	diethyl thiazole
3,5-	diethyl-2-methyl pyrazine
2,5-	diethyl-3-methyl pyrazine
2,5-	diethyl-4-methyl thiazole
	difurfuryl ether
	difurfuryl sulfide
6,7-	dihydro-2,3-dimethyl-5H-cyclopentapyrazine
	diisoamyl thiomalate
	dimethyl dihydrocyclopentapyrazine
2,3-	dimethyl pyrazine
2,6-	dimethyl pyrazine
2,6-	dimethyl pyridine
2,4-	dimethyl thiazole
2,5-	dimethyl thiazole
4,5-	dimethyl thiazole
2,5-	dimethyl thiophene
4,5-	dimethyl-2-ethyl-3-thiazoline
2,5-	dimethyl-3-thiofuroyl furan
2,4-	dimethyl-5-vinyl thiazole
	ethyl 2-hydroxy-2-methyl butyrate
	ethyl 3-(furfuryl thio) propionate
	ethyl methyl sulfide
2-	ethyl pyrazine
S-	ethyl thioacetate
1-	ethyl-2-acetyl pyrrole
5-	ethyl-2-methyl pyridine
2-	ethyl-3-methoxypyrazine
2-	ethyl-3,5(6)-dimethyl pyrazine mixture
2-	ethyl-4-methyl thiazole
(Z+E)-5-	ethyl-4-methyl-2-(2-butyl) thiazoline
(Z+E)-5-	ethyl-4-methyl-2-(2-methyl propyl) thiazoline
	filbert pyrazine
	furfuryl alcohol
	furfuryl isopropyl sulfide
	furfuryl mercaptan
	furfuryl methyl ether
	furfuryl propionate
1-	furfuryl pyrrole
	furfuryl thioacetate
S-	furfuryl thioformate
	furfuryl thiopropionate
2-	furyl pentyl ketone
3-(2-	furyl) acrolein
	hazelnut notes
	hazelnut oleoresin
	hazelnut pyrazine
(E,E)-2,4-	heptadien-1-ol
gamma-	heptalactone
2-	heptyl furan
2,4-	hexadien-1-ol
3,4-	hexane dione
2-	hexyl-5 or 6-keto-1,4-dioxane
1-	hydroxy-2-butanone
4-	hydroxybenzoic acid
	maraniol
	menthofuran
2-	methoxypyrazine
2-	methyl 3-(methyl thio) furan 10% in triacetin
2-	methyl 5-(methyl thio) furan
2-	methyl anisole
para-	methyl anisole
2-	methyl butyraldehyde
	methyl cyclopentenolone
	methyl furfuryl disulfide
2-	methyl pyrazine
2-	methyl quinoxaline
5-	methyl quinoxaline
4-	methyl thiazole
2-	methyl thio-3,5 or 6-methyl pyrazine
2-(	methyl thio) acetaldehyde
	methyl valerate
3-	methyl-2-buten-1-al
2-	methyl-3-,5 or 6-(furfuryl thio) pyrazine
2-	methyl-3-(methyl thio) pyrazine
2-	methyl-3-propyl pyrazine
2-	methyl-3,(5 or 6)-ethoxypyrazine
2-	methyl-5-isopropyl pyrazine
(E,E)-2,4-	nonadien-1-al
	nutty cyclohexenone
	nutty quinoxaline
	nutty thiazole
	peach cyclopentanone
	peanut dithiazine
	peanut oxazole
2-	propionyl thiazole
2-	propionyl-2-thiazoline
	propyl benzoate
iso	propyl pyrazine
2-	propyl pyridine
	saffron pyranone
	sandalwood oil
	shoyu pyrazine
	sulfuryl butyrate
	sulfuryl decanoate
	sulfuryl formate
	sulfuryl hexanoate
	sulfuryl isobutyrate
	sulfuryl octanoate
	sulfuryl propionate
2,3,5,6-	tetramethyl pyrazine
2-	thienyl mercaptan
2-	thiophene thiol
(E)-	tiglic aldehyde
	tobacco butenal
	tonka bean absolute
	tonka bean resinoid
2,3,5-	trimethyl pyrazine
2,4,5-	trimethyl thiazole
	valeraldehyde
	valeraldehyde dibutyl acetal
	valeraldehyde propylene glycol acetal
2-	vinyl pyrazine
	vinyl sulfurol
	whiskey lactone
2,6-	xylenol
(odor and/or flavor) used in :
	caramel
	chocolate cocoa
	coffee
	nut hazelnut
	nut macadamia
	roasted
	tobacco tabac tabaco
natural occurrence in :
	hazelnut

information only - not sold by The Good Scents Company.

Top of Page The Good Scents Company Home