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butyl 2-furoate
2-furoic acid, butyl ester

Supplier Sponsors

Name:butyl furan-2-carboxylate
CAS Number: 583-33-5Picture of molecule3D/inchi
FDA UNII:1F9715415C
Nikkaji Web:J21.617H
Beilstein Number:0117938
MDL:MFCD00797966
XlogP3:2.40 (est)
Molecular Weight:168.19224000
Formula:C9 H12 O3
BioActivity Summary:listing
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
PubMed:Search
NCBI:Search
FLAVIS Number:13.102 (Old)
DG SANTE Food Flavourings:13.102 butyl 2-furoate
 
Physical Properties:
Appearance:pale yellow oily liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.05200 to 1.05800 @ 25.00 °C.
Pounds per Gallon - (est).: 8.754 to 8.804
Refractive Index:1.46900 to 1.47500 @ 20.00 °C.
Boiling Point: 83.00 to 84.00 °C. @ 1.00 mm Hg
Boiling Point: 233.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.061000 mm/Hg @ 25.00 °C. (est)
Flash Point: 199.00 °F. TCC ( 92.78 °C. )
logP (o/w): 2.631 (est)
Soluble in:
 alcohol
 water, 534.2 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl 2-furoate
S-2,5-dimethyl-3-furyl thio-2-furoate
ethyl 2-furoate
hexyl 2-furoate
methyl 2-furoate
octyl 2-furoate
propyl 2-furoate
phenethyl 2-furoate
 
Organoleptic Properties:
Odor Strength:medium
floral orchid
Odor Description:at 100.00 %. like salicylic acid ester of butyl alcohol
Flavor Type: floral
floral earthy
Taste Description: floral earthy
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Butyl 2-furoate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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:
oral-mouse LD50 1500 mg/kg
(Stasenkova & Shchirskaya, 1967)

intraperitoneal-rat LD50 100 - 150 mg/kg
(Phatak & Emerson, 1936)

oral-mouse LD50 1500 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BLOOD: HEMORRHAGE LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 9, Pg. 118, 1967.

intraperitoneal-rat LDLo 100 mg/kg
Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 174, 1936.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for butyl 2-furoate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (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 :11409
National Institute of Allergy and Infectious Diseases:Data
butyl furan-2-carboxylate
Chemidplus:0000583335
 
References:
 butyl furan-2-carboxylate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):11409
Pubchem (sid):134978224
 
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
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
amber
cistus ladaniferus resinoid
FR
animal
para-
cresyl caprylate
FL/FR
anisic
para-
anisaldehyde
FL/FR
balsamic
iso
amyl benzoate
FL/FR
amyl cinnamate
FL/FR
iso
amyl cinnamate
FL/FR
amyris wood oil
FL/FR
siam
benzoin resinoid
FL/FR
benzyl benzoate
FL/FR
benzyl salicylate
FL/FR
iso
butyl benzoate
FL/FR
clover nitrile
FR
fir balsam absolute
FR
3-
phenyl propyl alcohol
FL/FR
floral
alpha-
amyl cinnamaldehyde
FL/FR
iso
amyl salicylate
FL/FR
amyl salicylate
FL/FR
coriander seed oil
FL/FR
dihydrojasmone
FL/FR
2-
ethyl hexyl salicylate
FR
floral pyranol
FR
heliotropyl acetone
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
nerolidol
FL/FR
ocean propanal
FL/FR
phenethyl alcohol
FL/FR
propyl salicylate
FR
rose butanoate
FL/FR
green
phenyl acetaldehyde
FL/FR
herbal
carum carvi fruit oil
FL/FR
clary sage oil france
FL/FR
hexyl salicylate
FL/FR
lavender absolute bulgaria
FL/FR
melon
watermelon ketone
FR
mossy
veramoss (IFF)
FR
spicy
cassia bark oil china
FL/FR
clove bud oil
FL/FR
iso
eugenyl acetate
FL/FR
tonka
coumarin
FR
tonka bean absolute
FR
woody
cedarwood oil virginia
FR
methyl cedryl ketone
FL/FR
patchouli ethanone
FR
patchouli oil
FL/FR
santall
FR
woody acetate
FR
For Flavor
animal
para-
cresyl caprylate
FL/FR
aromatic
amyl salicylate
FL/FR
balsamic
amyl cinnamate
FL/FR
siam
benzoin resinoid
FL/FR
benzyl benzoate
FL/FR
benzyl salicylate
FL/FR
berry
heliotropyl acetone
FL/FR
creamy
para-
anisaldehyde
FL/FR
fatty
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
floral
iso
amyl cinnamate
FL/FR
dihydrojasmone
FL/FR
ocean propanal
FL/FR
phenethyl alcohol
FL/FR
fruity
iso
amyl benzoate
FL/FR
iso
butyl benzoate
FL/FR
rose butanoate
FL/FR
green
iso
amyl salicylate
FL/FR
nerolidol
FL/FR
herbal
carum carvi fruit oil
FL/FR
clary sage oil france
FL/FR
coriander seed oil
FL/FR
hexyl salicylate
FL/FR
lavender absolute bulgaria
FL/FR
honey
phenyl acetaldehyde
FL/FR
spicy
cassia bark oil china
FL/FR
clove bud oil
FL/FR
iso
eugenyl acetate
FL/FR
3-
phenyl propyl alcohol
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
waxy
alpha-
hexyl cinnamaldehyde
FL/FR
woody
amyris wood oil
FL/FR
methyl cedryl ketone
FL/FR
patchouli oil
FL/FR
 
Potential Uses:
FLmimosa
 
Occurrence (nature, food, other):note
 papaya fruit - less than 0.01 mg/kg
Search Trop Picture
 
Synonyms:
 butyl 2-furan carboxylate
 butyl 2-furancarboxylate
 butyl furan-2-carboxylate
 butyl furoate
2-furan carboxylic acid butyl ester
2-furancarboxylic acid butyl ester
2-furancarboxylic acid, butyl ester
2-furanecarboxylic acid, 2-butyl ester
2-furoic acid N-butyl ester
2-furoic acid, butyl ester
2-furoic acid, n-butyl ester
 
 
Notes:
None found
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