filbert heptenone B

flavor and fragrance agents

2D:
3D:
CAS Number:	409-02-9
ECHA EC Number:	206-990-2
FDA UNII:	Search
Category:	flavor and fragrance agents
IUPAC Name:	filbert heptenone B
InChI :	InChI=1/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
Std.InChI:	InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
InChIKey :	UHEPJGULSIKKTP-UHFFFAOYAX
Std.InChIKey:	UHEPJGULSIKKTP-UHFFFAOYSA-N
SMILES :	CC(=CCCC(=O)C)C
Molar Refractivity :	39.04 ± 0.3 cm3 (est)
Parachor :	338.8 ± 4.0 cm3 (est)
Index of Refraction :	1.430 ± 0.02 (est)
Surface Tension :	25.2 ± 3.0 dyne/cm (est)
Density :	0.835 ± 0.06 g/cm3 (est)
Polarizability :	15.47 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Perfumer and Flavorist:	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Appearance:	colorless to pale yellow clear liquid (est)
Assay:	95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed:	No
Boiling Point:	173.28 °C. @ 760.00 mm Hg (est)
Vapor Pressure:	1.277000 mmHg @ 25.00 °C. (est)
Flash Point:	126.00 °F. TCC ( 52.22 °C. )
logP (o/w):	1.947 (est)
Shelf Life:	24.00 month(s) or longer if stored properly.
Storage:	store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
	alcohol
	water, slightly
	water, 1208 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

nutty hazelnut filbert roasted ketonic coffee nutty filbert hazelnut

Cosmetic Information:

CosIng:	cosmetic data
Cosmetic Uses:	perfuming agents

Suppliers:

Axxence Aromatic

5-METHYL-2-HEPTEN-4-ONE (1% IN TRIACETIN), Natural, Kosher

Sustainability

BOC Sciences

For experimental / research use only.

methylheptenone 95%

CJ Latta & Associates

FILBERTONE

Safety Information:


Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):409-02-9

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :9862

National Institute of Allergy and Infectious Diseases:Data

6-methylhept-5-en-2-one

Chemidplus:0000409029

References:

Leffingwell:	Chirality or Article
	6-methylhept-5-en-2-one
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	409-02-9
Pubchem (cid):	9862
Pubchem (sid):	134973804

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
CHEBI:	View
CHEMBL:	View
KEGG (GenomeNet):	C07287
HMDB (The Human Metabolome Database):	HMDB35915
FooDB:	FDB015353
Export Tariff Code:	2914.19.0000
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View

Potential Blenders and core components :

For Odor

No odor group found for these

sulfuryl octanoate
FL/FR

sulfuryl butyrate
FL/FR

sulfuryl decanoate
FL/FR

sulfuryl hexanoate
FL/FR

sulfuryl isobutyrate
FL/FR

sulfuryl propionate
FL/FR

valeraldehyde dibutyl acetal
FL/FR

valeraldehyde propylene glycol acetal
FL/FR

alcoholic

propyl alcohol
FL/FR

aldehydic

nonanal (aldehyde C-9)
FL/FR

pinoacetaldehyde
FR

amber

ambroxan
FL/FR

balsamic

acetyl furan
FL/FR

(E)-

benzyl tiglate
FL/FR

propyl benzoate
FL/FR

bready

coffee furanone
FL/FR

furfural
FL/FR

burnt

ethyl-3,5(or 6)-dimethyl pyrazine
FL/FR

buttery

acetyl propionyl
FL/FR

3,4-

hexane dione
FL/FR

camphoreous

bornyl isobutyrate
FL/FR

butyrophenone
FL/FR

caramellic

cyclotene
FL/FR

ethyl 2-hydroxy-2-methyl butyrate
FL/FR

ethyl cyclopentenolone
FL/FR

fenugreek absolute
FL/FR

iso

propenyl pyrazine
FL/FR

chocolate

chocolate hazelnut fragrance
FR

chocolate pyrazine A
FL/FR

cocoa hexenal
FL/FR

cocoa pentenal
FL/FR

2,5-

dimethyl pyrazine
FL/FR

methoxy-3-methyl pyrazine
FL/FR

methoxypyrazine
FL/FR

2,4,5-

trimethyl thiazole
FL/FR

cocoa

2-iso

butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR

methyl butyraldehyde
FL/FR

coconut

alpha-

angelica lactone
FL/FR

delta-

decalactone
FL/FR

gamma-

heptalactone
FL/FR

coffee

cichorium intybus root extract
FL/FR

furfuryl mercaptan
FL/FR

methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR

corn chip

popcorn pyrimidine
FL/FR

coumarinic

coumane
FL/FR

tonka bean resinoid
FR

earthy

ethyl-3-methoxypyrazine
FL/FR

octanol
FL/FR

ethereal

acetal
FL/FR

fatty

coconut absolute
FL/FR

fermented

valeraldehyde
FL/FR

floral

boronia butenal
FR

para-

cresyl laurate
FL/FR

hawthorn carbinol
FL/FR

ortho-

methyl acetophenone
FL/FR

fruity

allyl 2-ethyl butyrate
FL/FR

iso

amyl nonanoate
FL/FR

benzaldehyde
FL/FR

benzyl butyrate
FL/FR

bread thiophene
FL/FR

filbert hexenone
FL/FR

(Z)-3-

hexen-1-yl isobutyrate
FL/FR

methyl valerate
FL/FR

methyl-2-butenal
FL/FR

nonyl isovalerate
FL/FR

tetrahydrofurfuryl acetate
FL/FR

tropical thiazole
FL/FR

gamma-

undecalactone (aldehyde C-14 (so-called))
FL/FR

valeriana officinalis root extract
FL/FR

green

benzaldehyde dimethyl acetal
FL/FR

butyl lactate
FL/FR

2-tert-

butyl pyrazine
FL/FR

heptanol
FL/FR

heptyl furan
FL/FR

lilac acetaldehyde
FL/FR

(E,Z)-2,6-

nonadien-1-ol
FL/FR

(E,Z)-2,6-

nonadien-1-yl acetate
FL/FR

iso

propyl quinoline
FR

styralyl acetate
FL/FR

tiglaldehyde
FL/FR

herbal

pentyl acetate
FL/FR

saffron pyranone
FR

meaty

sulfurol
FL/FR

medicinal

quinoline
CS

mushroom

octen-2-ol
FL/FR

musty

acetyl pyrrole
FL/FR

acetyl-2,5-dimethyl furan
FL/FR

cocoa butenal
FL/FR

hazelnut pyrazine
FL/FR

menthofuran
FL/FR

naphthyl

para-

methyl anisole
FL/FR

ortho-

methyl anisole
FL/FR

nutty

acetyl pyridine
FL/FR

acetyl-3-ethyl pyrazine
FL/FR

acetyl-3-methyl pyrazine
FL/FR

acetyl-3,5-dimethyl pyrazine
FL/FR

acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR

acetyl-5-methyl furan
FL/FR

roasted

chestnut fragrance
FR

3,5-

cocoa pyrazine
FL/FR

3,6-

cocoa pyrazine
FL/FR

2,3-

dimethyl pyrazine
FL/FR

4,5-

dimethyl-2-ethyl-3-thiazoline
FL/FR

ethyl pyrazine
FL/FR

ethyl-4-methyl thiazole
FL/FR

filbert fragrance
FR

filbert heptenone
FL/FR

filbert pyrazine
FL/FR

(+)-(E,S)-

filbertone
FL/FR

(-)-(E,R)-

filbertone
FL/FR

(E)-

filbertone
FL/FR

european

hazelnut absolute
FL/FR

hazelnut fragrance
FR

roasted

hazelnut infusions
FL/FR

european

hazelnut oil CO2 extract
FL/FR

2,6-

lutidine
FL/FR

methoxymethyl pyrazine
FL/FR

methyl pyrazine
FL/FR

methyl quinoxaline
FL/FR

methyl thio-3,5 or 6-methyl pyrazine
FL/FR

methyl-3-(methyl thio) pyrazine
FL/FR

methyl-3-ethoxypyrazine
FL/FR

methyl-3-pentenoic acid
FL/FR

methyl-3-propyl pyrazine
FL/FR

nutty cyclohexenone
FL/FR

nutty quinoxaline
FL/FR

resorcinol
FR

sesame absolute
FL/FR

shoyu pyrazine
FL/FR

2,3,5,6-

tetramethyl pyrazine
FL/FR

2,4,5-

trimethyl oxazole
FL/FR

2,3,5-

trimethyl pyrazine
FL/FR

vinyl sulfurol
FL/FR

phenolic

para-alpha-

dimethyl styrene
FL/FR

popcorn

acetyl pyrazine
FL/FR

acetyl pyridine
FL/FR

acetyl thiazole
FL/FR

acetyl-3,6-dimethyl pyrazine
FL/FR

spicy

3-(2-

furyl) acrolein
FL/FR

sulfurous

acetyl thiophene
FL/FR

benzothiazole
FL/FR

furfuryl thioacetate
FL/FR

S-

furfuryl thioformate
FL/FR

tobacco

methyl benzoxole
FL/FR

(E,E/E,Z)-

tobacco cyclohexenone
FL/FR

veltonal (Bedoukian)
FR

tonka

amyl-alpha-pyrone
FL/FR

coumarin
FR

tonka bean absolute
FR

whiskey lactone
FL/FR

tropical

delta-

dodecalactone
FL/FR

vegetable

mesityl oxide
FL/FR

tetrahydrofurfuryl alcohol
FL/FR

woody

hydroxybenzaldehyde
FL/FR

sandal cyclopentane
FR

sandalwood oil
FL/FR

sandela
FR

santalyl acetate
FL/FR

santalyl butyrate
FL/FR

For Flavor

No flavor group found for these

acetyl acetaldehyde dimethyl acetal
FL

acetyl-3,6-dimethyl pyrazine
FL/FR

(E)-

aconitic acid
FL

bornyl isobutyrate
FL/FR

2-tert-

butyl pyrazine
FL/FR

2-iso

butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR

butyramide
FL

butyrophenone
FL/FR

chocolate pyrazine A
FL/FR

chocolate pyrazine B
FL

coumane
FL/FR

cyclohexyl methyl pyrazine
FL

2,5-

diethyl thiazole
FL

2,5-

diethyl-4-methyl thiazole
FL

6,7-

dihydro-2,3-dimethyl-5H-cyclopentapyrazine
FL

6,7-

dimethyl dihydrocyclopentapyrazine
FL

2,5-

dimethyl pyrazine and 2,6-dimethyl pyrazine mixture
FL

2,5-

dimethyl thiazole
FL

4,5-

dimethyl-2-ethyl thiazole
FL

ethoxy-3-isopropyl pyrazine
FL

ethyl 2-hydroxy-2-methyl butyrate
FL/FR

ethyl thiazole
FL

ethyl-3-methoxypyrazine
FL/FR

ethyl-3,5(or 6)-dimethyl pyrazine
FL/FR

(Z+E)-5-

ethyl-4-methyl-2-(2-butyl) thiazoline
FL

(Z+E)-5-

ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL

ethyl-5(or6)-methyl pyrazine
FL

(E)-

filbertone
FL/FR

3-(2-

furyl) acrolein
FL/FR

(E,E)-2,4-

heptadien-1-ol
FL

hexyl-5 or 6-keto-1,4-dioxane
FL

methoxy-6-methyl pyrazine
FL

methoxypyrazine
FL/FR

methyl 2-(methyl thio) acetate
FL

methyl-1-pentanol
FL

methyl-2-thiazoline
FL

methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR

methyl-3-(methyl thio) pyrazine
FL/FR

methyl-3-ethoxypyrazine
FL/FR

methyl-3-pentenoic acid
FL/FR

nonyl isovalerate
FL/FR

peanut dithiazine
FL

pentanol
FL

propyl pyridine
FL

propyl-3,5-dimethyl pyrazine
FL

pyrazine
FL

pyrazines mixture
FL

pyrazinyl methyl sulfide
FL

pyrrole
FL

para-

salicylic acid
FL

santalyl butyrate

Potential Uses:

FL	absinthe
FL	almond toasted almond
FL	cappuccino
FL	cashew
FR	chestnut blossom
FL	chicory root
FR	coconut
FR	coconut tropical coconut
FR	coffee
FL/FR	fenugreek
FR	filbert
FR	hazelnut
FL	macadamia
FR	mace
FL	nut
FL	nut roasted nut
FR	nutmeg
FR	peanut
FL	peanut butter
FL	pecan
FR	pina colada
FL	pistachio
FL	praline
FL	sesame
FL	walnut
FR	wormwood oil replacer

Occurrence (nature, food, other):

	ginger Search Trop Picture
	hazelnut nut Search Trop Picture
	lemon Search Trop Picture
	lemon balm shoot Search Trop Picture
	lime Search Trop Picture
	mandarin Search Trop Picture
	oat seed Search Trop Picture
	orange Search Trop Picture
	papaya fruit Search Trop Picture
	pomelo Search Trop Picture

Synonyms:

	filbert heptenone B
	filbertone
	methyl heptenone isomers
	methyl-2-heptenone
4-	methyl-5-hepten-2-one
6-	methylhept-5-en-2-one
	sulcatone

Articles:

Info:FILBERTONE

PubMed:Determination of filbertone in spiked olive oil samples using headspace-programmed temperature vaporization-gas chromatography-mass spectrometry.

PubMed:Semipreparative-scale gas-chromatographic separation of filbertone enantiomers.

PubMed:Solid-phase microextraction for studies on the enantiomeric composition of filbertone in hazelnut oils.

PubMed:Development of a stable isotope dilution assay for the quantification of 5-methyl-(E)-2-hepten-4-one: application to hazelnut oils and hazelnuts.

CONTENTS

EU/US Properties Organoleptic EU/US Suppliers Safety Safety in use Safety reference References Other Blenders Uses Occurrence Synonyms Articles