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furfuryl butyrate

Chemical Structure

General Material Information

Preferred name furfuryl butyrate
Trivial Name Furfuryl butyrate
Short Description furan-2-ylmethylbutanoate
Formula C9 H12 O3
CAS Number 623-21-2
Flavis Number 13.13
ECHA Number 210-779-0
FDA UNII Search
Nikkaji Number J47.700A
MDL MFCD00082962
COE Number 638
xLogP3-AA 1.50 (est)
NMR Predictor External link
JECFA Food Flavoring 759 furfuryl butyrate
FDA Mainterm 623-21-2 ; FURFURYL BUTYRATE
Synonyms
  • butanoic acid 2-furanyl methyl ester
  • butanoic acid 2-furanylmethyl ester
  • butanoic acid, 2-furanylmethyl ester
  • butyric acid furfuryl ester
  • butyric acid, furfuryl ester
  • furan-2-ylmethyl butanoate
  • furan-2-ylmethylbutanoate
  • furfuryl butanoate
  • 2-furfuryl butyrate
  • furfuryl n-butyrate
  • 2-furfuryl n-butyrate
  • 2-furyl methyl butanoate
  • 2-furylmethyl butanoate
  • 2-furylmethyl butyrate
  • 2-furylmethylbutanoate
  • Furfuryl alcohol, butyrate
  • 2-Furfuryl butyrate
  • 2-Furfuryl n-butyrate
  • NSC 35555

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

furan-2-ylmethyl butanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:623-21-2
Pubchem (cid):61167
Pubchem (sid):135018304
Publications by US Patents
3,952,024 - Furfurylthioacetone
Flavoring agent

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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB37729
FooDB:FDB016859
Export Tariff Code:2915.60.0000
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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 168.1922454834
Specific gravity @ 20 °C
Pounds per Gallon 8.731 to 8.781
Specific gravity @ 25 °C
Pounds per Gallon 8.745 to 8.795
Refractive Index 1.457 to 1.462 @ 20 °C
Boiling Point 129 to 130°C @ 52 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.195 mmHg @ 25 °C
Vapor Density 5.7
Flash Point TCC Value 90.56 °C TCC
logP (o/w) 2.121 est
Solubility
alcohol Yes
water, 524.5 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
grape, fruity, green
General comment At 100.00 %. grape fruity green
Flavor Type: Fruity
fruity, gooseberry
General comment Fruity gooseberry-like

Occurrences

Potential Uses

Applications
Odor purposes Fruit
Flavoring purposes Bakery, Banana, Coffee, Dairy, Grape, Licorice, Pork

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
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 butyrate usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.24 (μg/capita/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II

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):

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

Scientific Opinion on Flavouring Group Evaluation 13 Revision 3 (FGE.13Rev3): furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61167
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
furan-2-ylmethyl butanoate
Chemidplus:0000623212