furfuryl hexanoate
hexanoic acid, 2-furanylmethyl ester
 
Notes:
None found
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      39252-02-3 Furfuryl Hexanoate
       
  • CJ Latta & Associates
    • CJ Latta & Associates, LLC
      Extensive Line
      Aromatic Chemicals and Organic Acids.
      CJ Latta & Associates is a distributor of specialty aromatics and organic acids used in the formulation of flavors and fragrance manufactured worldwide. We pride ourselves on our reputation for, fair pricing, quality and reliability. We’ve built our business on successfully sourcing and developing many challenging specialty chemicals and fine ingredients for our clients.
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      FURFURYL HEXANOATE
       
  • Penta International
    • Penta International Corporation
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      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      06-37500 FURFURYL HEXANOATE
       
  • WholeChem
    • WholeChem, LLC
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      Custom manufacturer and distributor of specialty ingredients. We make global local.
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      Product(s):
      Furfuryl hexanoate
       
Synonyms   Articles   Notes   Search
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
DG SANTE Food Flavourings: 13.132  furfuryl hexanoate
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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
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allyl hexanoate
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para-anisyl hexanoate
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butyl hexanoate
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sec-butyl hexanoate
cinnamyl hexanoate
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meta-cresyl hexanoate
para-cresyl hexanoate
cyclohexyl hexanoate
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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
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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).
 
 
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Cosmetic Information:
None found
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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
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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
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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
Chewing gum (05.0): --
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
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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
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References:
 furan-2-ylmethyl hexanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 557222
Pubchem (sid): 10363047
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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
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
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Potential Blenders and core components note
 
For Odor
aldehydic
aldehydic
 dodecanal (aldehyde C-12 lauric)FL/FR
 octanal (aldehyde C-8)FL/FR
 undecanalFL/FR
balsamic
isoamyl benzoateFL/FR
 guaiyl acetateFL/FR
2-tetradecenalFL/FR
creamy
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
fatty
 allyl octanoateFL/FR
(Z)-dairy lactoneFL/FR
2,4-decadien-1-olFL/FR
(E)-2-decen-1-olFL/FR
3-decen-2-oneFL/FR
(E,Z)-2,6-dodecadienalFL/FR
 ethyl undecylenateFL/FR
 hexyl pivalateFR
 methyl 10-undecenoateFL/FR
 methyl 2-hexenoateFL/FR
4-methyl octanoic acidFL/FR
6-methyl-5-hepten-2-one propylene glycol acetalFL/FR
(E)-2-nonenalFL/FR
2-nonenalFL/FR
 octanoic acidFL/FR
2-octenalFL/FR
(E)-2-octenalFL/FR
floral
 geranyl acetateFL/FR
 hydroxycitronellalFL/FR
fruity
 allyl cyclohexyl acetateFL/FR
 allyl cyclohexyl propionateFL/FR
isoamyl octanoateFL/FR
 cyclohexyl propionateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl hexanoateFL/FR
 grape butyrateFL/FR
 methyl 2-methyl butyrateFL/FR
 methyl 3-nonenoateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 octen-1-yl cyclopentanoneFL/FR
(E)-2-undecenalFL/FR
green
 cilantro leaf oilFL/FR
 dodecanal dimethyl acetalFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal (aldehyde C-7)FL/FR
 heptanal cyclic propylene acetalFL/FR
3-heptanoneFL/FR
2-heptenalFL/FR
(Z)-4-heptenalFL/FR
 heptyl formateFL/FR
2-heptyl furanFL/FR
 hexanal (aldehyde C-6)FL/FR
(Z)-3-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(Z)-3-hexenalFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl octanoateFL/FR
 hexyl phenyl acetateFL/FR
 melon nonenoateFL/FR
 neryl butyrateFL/FR
(E,Z)-3,6-nonadien-1-olFL/FR
(E,Z)-2,6-nonadienalFL/FR
(Z)-2-nonen-1-olFL/FR
(E)-2-nonen-1-olFL/FR
(E)-2-octen-1-yl acetateFL/FR
herbal
3-octyl acetateFL/FR
soapy
 benzyl laurateFL/FR
spicy
 cumin seed absoluteFL/FR
 methyl eugenolFR
tonka
6-amyl-alpha-pyroneFL/FR
vegetable
1-furfuryl pyrroleFL/FR
waxy
9-decenoic acidFL/FR
 ethyl octanoateFL/FR
 heptyl octanoateFL/FR
 methyl butyl phenyl acetateFL/FR
 methyl myristateFL/FR
 methyl undecanoateFR
2,4-nonadien-1-olFL/FR
 propyl decanoateFL/FR
 tetradecanalFL/FR
 
For Flavor
 
No flavor group found for these
(E)-2-decen-1-olFL/FR
9-decen-2-oneFL
 epoxy-2-decenalFL
2,3-epoxyheptanalFL
 guaiyl acetateFL/FR
(E,E)-2,4-heptadien-1-olFL
 heptanal cyclic propylene acetalFL/FR
2-heptenalFL/FR
 hexanal butane-2,3-diol acetalFL
 hexanal octane-1,3-diol acetalFL
 hexyl (E)-2-hexenoateFL
 methyl 2-hexenoateFL/FR
 methyl myristateFL/FR
6-methyl octanalFL
6-methyl-5-hepten-2-one propylene glycol acetalFL/FR
2-octenalFL/FR
 propyl decanoateFL/FR
2-propyl pyridineFL
2-tetradecenalFL/FR
(±)-3-(methyl thio) heptanalFL
aldehydic
 octanal (aldehyde C-8)FL/FR
citrus
 cilantro leaf oilFL/FR
creamy
6-amyl-alpha-pyroneFL/FR
ethereal
 benzyl laurateFL/FR
fatty
 allyl octanoateFL/FR
(Z)-dairy lactoneFL/FR
2,4-decadien-1-olFL/FR
2,4-decadienalFL
 ethyl undecylenateFL/FR
(E,E)-2,4-heptadienalFL
 heptyl formateFL/FR
2-heptyl furanFL/FR
4-methyl octanoic acidFL/FR
2,4-nonadien-1-olFL/FR
2,4-nonadienalFL
(Z)-2-nonen-1-olFL/FR
2-nonenalFL/FR
(E)-2-octenalFL/FR
(E)-2-octenoic acidFL
 tetradecanalFL/FR
fruity
 allyl cyclohexyl acetateFL/FR
 allyl cyclohexyl propionateFL/FR
isoamyl benzoateFL/FR
isoamyl octanoateFL/FR
 cyclohexyl propionateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl hexanoateFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
 hexyl phenyl acetateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 2-methyl butyrateFL/FR
 methyl 3-nonenoateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 octen-1-yl cyclopentanoneFL/FR
green
3-decen-2-oneFL/FR
 dihydroxyacetophenone (mixed isomers)FL
(E,Z)-2,6-dodecadienalFL/FR
 dodecanal dimethyl acetalFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 geranyl acetateFL/FR
 grape butyrateFL/FR
 heptanal (aldehyde C-7)FL/FR
(Z)-4-heptenalFL/FR
(E)-2-heptenalFL
2,4-hexadienalFL
 hexanal (aldehyde C-6)FL/FR
(Z)-3-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(Z)-3-hexenalFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl octanoateFL/FR
2-hexyl pyridineFL
 melon nonenoateFL/FR
 neryl butyrateFL/FR
(E,Z)-3,6-nonadien-1-olFL/FR
(E,Z)-2,6-nonadienalFL/FR
(E)-2-nonen-1-olFL/FR
(E)-2-nonenalFL/FR
2,4-octadienalFL
(E,E)-2,4-octadienalFL
(E)-2-octen-1-yl acetateFL/FR
3-octyl acetateFL/FR
herbal
5-hydroxymethyl furfuralFL
ketonic
3-heptanoneFL/FR
leafy
 methyl butyl phenyl acetateFL/FR
soapy
 dodecanal (aldehyde C-12 lauric)FL/FR
 octanoic acidFL/FR
spicy
 cumin seed absoluteFL/FR
vegetable
1-furfuryl pyrroleFL/FR
waxy
9-decenoic acidFL/FR
 ethyl octanoateFL/FR
 heptyl octanoateFL/FR
 hydroxycitronellalFL/FR
 methyl 10-undecenoateFL/FR
 undecanalFL/FR
(E)-2-undecenalFL/FR
 
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Potential Uses:
 fatFL
 greenFL
 waxy 
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Occurrence (nature, food, other): note
 meat cooked meat
Search  PMC Picture
 pork cooked pork liver
Search  PMC Picture
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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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Articles:
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