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furfuryl hexanoate
hexanoic acid, 2-furanylmethyl ester

Supplier Sponsors

Name:furan-2-ylmethyl hexanoate
CAS Number: 39252-02-3Picture of molecule3D/inchi
Nikkaji Web:J47.713C
MDL:MFCD00209509
XlogP3-AA:2.60 (est)
Molecular Weight:196.24612000
Formula:C11 H16 O3
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring agents
 
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
FLAVIS Number:13.132 (Old)
DG SANTE Food Flavourings:13.132 furfuryl hexanoate
 
Physical Properties:
Appearance:yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.00300 to 1.01300 @ 25.00 °C.
Pounds per Gallon - (est).: 8.346 to 8.429
Refractive Index:1.45200 to 1.45800 @ 20.00 °C.
Boiling Point: 149.00 to 150.00 °C. @ 50.00 mm Hg
Boiling Point: 224.00 to 225.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.023000 mmHg @ 25.00 °C. (est)
Flash Point: 225.00 °F. TCC ( 107.22 °C. )
logP (o/w): 3.216 (est)
Soluble in:
 alcohol
 water, 55.43 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl hexanoate
allyl thiohexanoate
amyl hexanoate
isoamyl hexanoate
para-anisyl hexanoate
benzyl hexanoate
butyl hexanoate
isobutyl hexanoate
sec-butyl hexanoate
cinnamyl hexanoate
citronellyl hexanoate
meta-cresyl hexanoate
para-cresyl hexanoate
cyclohexyl hexanoate
decyl hexanoate
dimethyl benzyl carbinyl hexanoate
ethyl 2-acetyl hexanoate
ethyl hexanoate
geranyl hexanoate
heptyl hexanoate
sec-heptyl hexanoate
(E)-3-hexen-1-yl hexanoate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
hexyl hexanoate
linalyl hexanoate
menthyl hexanoate
3-mercaptohexyl hexanoate
2-methyl butyl hexanoate
methyl hexanoate
methyl thiohexanoate
neryl hexanoate
octyl hexanoate
(Z)-2-penten-1-yl hexanoate
phenethyl hexanoate
3-phenyl propyl hexanoate
prenyl hexanoate
propyl hexanoate
isopropyl hexanoate
sulfuryl hexanoate
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium
green fatty musty waxy
Odor Description:at 100.00 %. green fatty musty waxy
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Furfuryl Hexanoate
CJ Latta & Associates
FURFURYL HEXANOATE
Inoue Perfumery
FURFURYL HEXANOATE
Penta International
FURFURYL HEXANOATE
WholeChem
Furfuryl hexanoate
 
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: flavoring agents
Recommendation for furfuryl hexanoate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.58 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Adequate NOAEL exists: Yes
Threshold of Concern:90 (μg/person/day)
Structure Class: III
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 13 (FGE.13); Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 (Commission Regulation (EC) No 1565/2000 of 18
View page or View pdf

Flavouring Group Evaluation 66 (FGE.66)[1]:Consideration of furfuryl alcohol and related flavouring substances evaluated by JECFA (55th meeting) structurally related to Furfuryl and furan derivatives with and without additional side chain substituents and heteroatoms evaluated by EFSA in FGE.13 (2005)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 13Rev1: Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14
View page or View pdf

Consideration of sulfur-substituted furan derivatives used as flavouring agents evaluated by JECFA (59th meeting) structurally related to a subgroup of substances within the group of “Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14” evaluated by EFSA in FGE.13Rev1 (2009)
View page or View pdf

Flavouring Group Evaluation 67 (FGE.67): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 13, Revision 2 (FGE.13Rev2): Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 67, Revision 1 (FGE.67Rev.1): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c)
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :557222
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
furan-2-ylmethyl hexanoate
 
References:
 furan-2-ylmethyl hexanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):557222
Pubchem (sid):10363047
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
EFSA Update of results on the monitoring of furan levels in food:Read Report
EFSA Previous report: Results on the monitoring of furan levels in food:Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food:Read Report
 
Potential Blenders and core components note
For Odor
aldehydic
dodecanal (aldehyde C-12 lauric)
FL/FR
octanal (aldehyde C-8)
FL/FR
undecanal
FL/FR
balsamic
iso
amyl benzoate
FL/FR
guaiyl acetate
FL/FR
citrus
2-
tetradecenal
FL/FR
creamy
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
fatty
allyl octanoate
FL/FR
(Z)-
dairy lactone
FL/FR
2,4-
decadien-1-ol
FL/FR
(E)-2-
decen-1-ol
FL/FR
3-
decen-2-one
FL/FR
(E,Z)-2,6-
dodecadienal
FL/FR
ethyl undecylenate
FL/FR
hexyl pivalate
FR
methyl 10-undecenoate
FL/FR
methyl 2-hexenoate
FL/FR
4-
methyl octanoic acid
FL/FR
6-
methyl-5-hepten-2-one propylene glycol acetal
FL/FR
2-
nonenal
FL/FR
(E)-2-
nonenal
FL/FR
octanoic acid
FL/FR
2-
octenal
FL/FR
(E)-2-
octenal
FL/FR
floral
geranyl acetate
FL/FR
hydroxycitronellal
FL/FR
fruity
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl propionate
FL/FR
iso
amyl octanoate
FL/FR
cyclohexyl propionate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl hexanoate
FL/FR
grape butyrate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
octen-1-yl cyclopentanone
FL/FR
(E)-2-
undecenal
FL/FR
green
cilantro leaf oil
FL/FR
dodecanal dimethyl acetal
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal (aldehyde C-7)
FL/FR
heptanal cyclic propylene acetal
FL/FR
3-
heptanone
FL/FR
(Z)-4-
heptenal
FL/FR
2-
heptenal
FL/FR
heptyl formate
FL/FR
2-
heptyl furan
FL/FR
hexanal (aldehyde C-6)
FL/FR
(Z)-3-
hexen-1-yl formate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexenal
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl octanoate
FL/FR
hexyl phenyl acetate
FL/FR
melon nonenoate
FL/FR
neryl butyrate
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
(E)-2-
nonen-1-ol
FL/FR
(Z)-2-
nonen-1-ol
FL/FR
(E)-2-
octen-1-yl acetate
FL/FR
herbal
3-
octyl acetate
FL/FR
soapy
benzyl laurate
FL/FR
spicy
cumin seed absolute
FL/FR
methyl eugenol
FR
tonka
6-
amyl-alpha-pyrone
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
waxy
9-
decenoic acid
FL/FR
ethyl octanoate
FL/FR
heptyl octanoate
FL/FR
methyl butyl phenyl acetate
FL/FR
methyl myristate
FL/FR
methyl undecanoate
FR
2,4-
nonadien-1-ol
FL/FR
propyl decanoate
FL/FR
tetradecanal
FL/FR
For Flavor
No flavor group found for these
(E)-2-
decen-1-ol
FL/FR
9-
decen-2-one
FL
epoxy-2-decenal
FL
2,3-
epoxyheptanal
FL
guaiyl acetate
FL/FR
(E,E)-2,4-
heptadien-1-ol
FL
heptanal cyclic propylene acetal
FL/FR
2-
heptenal
FL/FR
hexanal butane-2,3-diol acetal
FL
hexanal octane-1,3-diol acetal
FL
hexyl (E)-2-hexenoate
FL
methyl 2-hexenoate
FL/FR
methyl myristate
FL/FR
6-
methyl octanal
FL
6-
methyl-5-hepten-2-one propylene glycol acetal
FL/FR
2-
octenal
FL/FR
propyl decanoate
FL/FR
2-
propyl pyridine
FL
2-
tetradecenal
FL/FR
(±)-3-(
methyl thio) heptanal
FL
aldehydic
aldehydic
octanal (aldehyde C-8)
FL/FR
citrus
cilantro leaf oil
FL/FR
creamy
6-
amyl-alpha-pyrone
FL/FR
ethereal
benzyl laurate
FL/FR
fatty
allyl octanoate
FL/FR
(Z)-
dairy lactone
FL/FR
2,4-
decadien-1-ol
FL/FR
2,4-
decadienal
FL
ethyl undecylenate
FL/FR
(E,E)-2,4-
heptadienal
FL
heptyl formate
FL/FR
2-
heptyl furan
FL/FR
4-
methyl octanoic acid
FL/FR
2,4-
nonadien-1-ol
FL/FR
2,4-
nonadienal
FL
(Z)-2-
nonen-1-ol
FL/FR
2-
nonenal
FL/FR
(E)-2-
octenal
FL/FR
(E)-2-
octenoic acid
FL
tetradecanal
FL/FR
fruity
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl propionate
FL/FR
iso
amyl benzoate
FL/FR
iso
amyl octanoate
FL/FR
cyclohexyl propionate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl hexanoate
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
hexyl phenyl acetate
FL/FR
methyl (E)-3-nonenoate
FL
methyl 2-methyl butyrate
FL/FR
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
octen-1-yl cyclopentanone
FL/FR
green
3-
decen-2-one
FL/FR
dihydroxyacetophenone (mixed isomers)
FL
(E,Z)-2,6-
dodecadienal
FL/FR
dodecanal dimethyl acetal
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
geranyl acetate
FL/FR
grape butyrate
FL/FR
heptanal (aldehyde C-7)
FL/FR
(E)-2-
heptenal
FL
(Z)-4-
heptenal
FL/FR
2,4-
hexadienal
FL
hexanal (aldehyde C-6)
FL/FR
(Z)-3-
hexen-1-yl formate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexenal
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl octanoate
FL/FR
2-
hexyl pyridine
FL
melon nonenoate
FL/FR
neryl butyrate
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
(E)-2-
nonen-1-ol
FL/FR
(E)-2-
nonenal
FL/FR
2,4-
octadienal
FL
(E,E)-2,4-
octadienal
FL
(E)-2-
octen-1-yl acetate
FL/FR
3-
octyl acetate
FL/FR
herbal
5-
hydroxymethyl furfural
FL
ketonic
3-
heptanone
FL/FR
leafy
methyl butyl phenyl acetate
FL/FR
soapy
dodecanal (aldehyde C-12 lauric)
FL/FR
octanoic acid
FL/FR
spicy
cumin seed absolute
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
waxy
9-
decenoic acid
FL/FR
ethyl octanoate
FL/FR
heptyl octanoate
FL/FR
hydroxycitronellal
FL/FR
methyl 10-undecenoate
FL/FR
undecanal
FL/FR
(E)-2-
undecenal
FL/FR
 
Potential Uses:
FLfat
FLgreen
 waxy
 
Occurrence (nature, food, other):note
 meat cooked meat
Search PMC Picture
 pork cooked pork liver
Search PMC Picture
 
Synonyms:
 furan-2-yl methyl hexanoate
 furan-2-ylmethyl hexanoate
 furan-2-ylmethylhexanoate
 furfuryl caproate
 furfuryl n-hexanoate
2-furylmethyl hexanoate
 hexanoic acid furfuryl ester
 hexanoic acid, 2-furanylmethyl ester
 

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