EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
BT
 

furfuryl octanoate
octanoic acid, furfuryl ester

Sponsors

Name: furan-2-ylmethyl octanoate
CAS Number: 39252-03-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 254-381-5
FDA UNII: 24FE04Z37C
MDL: MFCD00209510
CoE Number: 10645
XlogP3-AA: 3.70 (est)
Molecular Weight: 224.30000000
Formula: C13 H20 O3
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 742 furfuryl octanoate
Flavis Number: 13.067 (Old)
DG SANTE Food Flavourings: 13.067 furfuryl octanoate
FEMA Number: 3396 furfuryl octanoate
FDA Mainterm: ALPHA-FURFURYL OCTANOATE
 
Physical Properties:
Appearance: yellow clear liquid (est)
Assay: 98.00 to 100.00
Equivalence Factor for Assay: 112.15
Food Chemicals Codex Listed: No
Specific Gravity: 0.97800 25.00 °C.
Boiling Point: 139.00 °C. @ 10.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.003000 mm/Hg @ 25.00 °C. (est)
Flash Point: > 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 4.159 (est)
Soluble in:
 alcohol
 water, 5.737 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl octanoate
amyl octanoate
isoamyl octanoate
benzyl octanoate
butyl octanoate
isobutyl octanoate
citronellyl octanoate
ortho-cresyl octanoate
para-cresyl octanoate
decyl octanoate
ethyl 4-methyl octanoate
ethyl octanoate
geranyl octanoate
heptyl octanoate
(E)-2-hexen-1-yl octanoate
(Z)-3-hexen-1-yl octanoate
hexyl octanoate
linalyl octanoate
2-methyl butyl octanoate
methyl octanoate
nonyl octanoate
octyl octanoate
phenethyl octanoate
propyl octanoate
isopropyl octanoate
sulfuryl octanoate
 
Organoleptic Properties:
Odor Type: waxy
Odor Strength: medium
Substantivity: 200 hour(s) at 100.00 %
 sweet waxy metallic fruity peach
Odor Description:
at 100.00 %.
sweet waxy metallic fruity peach
Luebke, William tgsc, (1997)
 sweet waxy metallic fruity bready caramellic
Odor Description:
Sweet, waxy, metallic, slightly fruity with bready and caramellic nuances
Mosciano, Gerard P&F 16, No. 2, 49, (1991)
Flavor Type: waxy
 waxy oily fatty hairy fruity soapy metallic
Taste Description:
waxy oily fatty hairy fruity soapy metallic
 waxy fruity
Taste Description:
at 20.00 ppm.
Waxy and fruity
Mosciano, Gerard P&F 16, No. 2, 49, (1991)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Alfrebro
FURFURYL OCTANOATE
Odor: Fruity, Peach
Aurochemicals
FURFURYL OCTANOATE, Natural
BOC Sciences
For experimental / research use only.
Furfuryl Octanoate
Inoue Perfumery
FURFURYL OCTANOATE
Penta International
FURFURYL OCTANOATE, Kosher
Synerzine
alpha-Furfuryloctanoate
 
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 octanoate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 6.00 (μg/capita/day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
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).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 7
 average usual ppmaverage maximum ppm
baked goods: -4.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: -2.00000
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: -2.00000
granulated sugar: --
gravies: -2.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -2.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: -10.00000
soft candy: --
soups: -2.00000
sugar substitutes: --
sweet sauces: --
 
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
Flavouring Group Evaluation 218: alpha,beta-Unsaturated aldehydes and precursors from subgroup 4.2 of FGE.19: Furfural derivatives - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
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
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 218, Revision 1 (FGE.218Rev1): alpha,beta-Unsaturated aldehydes and precursors from subgroup 4.2 of FGE.19: Furfural derivatives.
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 66, Revision 1 (FGE.66Rev1): Consideration of Furfuryl Alcohol and Related Flavouring Substances Evaluated by JECFA (55th meeting)
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 Substance Registry Services (TSCA): 39252-03-4
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 61985
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 furan-2-ylmethyl octanoate
Chemidplus: 0039252034
 
References:
 furan-2-ylmethyl octanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 39252-03-4
Pubchem (cid): 61985
Pubchem (sid): 135019532
Pherobase: View
 
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
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB37730
FooDB: FDB016860
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
For Flavor
No flavor group found for these
2-
acetyl-3,4,5,6-tetrahydropyridine
FL
allyl 2-furoate
FL
benzyl disulfide
FL
2,5-
diethyl tetrahydrofuran
FL
furfuryl acetone
FL
mango furanone
FL
bready
bready
2-
propionyl thiazole
FL
burnt
furfuryl alcohol
FL
buttery
diacetyl
FL
caramellic
caramel furanone
FL
5-
ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
FL
3-
methyl butyl 2-furyl butyrate
FL
cocoa
butyraldehyde
FL
coffee
diisoamyl thiomalate
FL
2-
thiophene thiol
FL
corn chip
2-
acetyl-2-thiazoline
FL
fatty
2,4-
decadienal
FL
diacetyl trimer
FL
2,4-
octadien-1-ol
FL
(E,E)-2,4-
undecadienal
FL
2,4-
undecadienal
FL
fruity
furfuryl valerate
FL
2-
pentanoyl furan
FL
green
methyl 2-undecynoate
FL
herbal
5-
hydroxymethyl furfural
FL
metallic
2,5-
dihydroxy-1,4-dithiane
FL
nutty
peanut oxazole
FL
sweet
caramel dione
FL
 
Potential Uses:
 caramelFL
 creamFL
 fruit 
 milkFL
 peachFL
 waxy 
 
Occurrence (nature, food, other): note
 not found in nature
 
Synonyms:
 furan-2-ylmethyl octanoate
2-furanyl methyl octanoate
2-furanylmethyl octanoate
 furfuryl caprylate
alpha-furfuryl caprylate
2-furfuryl octanoate
alpha-furfuryl octanoate
alpha-furfuryloctanoate
2-furylmethyl octanoate
 octanoic acid 2-furanyl methyl ester
 octanoic acid furfuryl ester
 octanoic acid, 2-furanylmethyl ester
 octanoic acid, furfuryl ester
 
 
Notes:
Flavouring ingredient
 
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