furfural
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IUPAC Name - furan-2-carbaldehyde
InChI - InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
InChIKey - HYBBIBNJHNGZAN-UHFFFAOYAD
SMILES - C1=COC(=C1)C=O
CAS Number : 98-01-1
(EINECS) Number :202-627-7
EU Annex :605-010-00-4
Beilstein Number :0105755
FEMA Number :2489
COE Number :2014
Molar Refractivity :25.30 ± 0.3 cm3 (est)
Parachor :206.3 ± 4.0 cm3 (est)
Index of Refraction :1.515 ± 0.02 (est)
Surface Tension :36.5 ± 3.0 dyne/cm (est)
Density :1.145 ± 0.06 g/cm3 (est)
Polarizability :10.03 ± 0.5 10-24cm3 (est)
XlogP : 0.40 (est)
Molecular Weight : 96.0840600 (IUPAC) (PT) (112)
Formula :C5 H4 O2
Pherobase Floral:view
NMR Predictor :Predict
 
 
Category :flavoring agents

EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring : 450
Fl@vouring Number : 13.018
FDA Mainterm : FURFURAL.
FDA Regulation. :FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS
Subpart B--Substances for Use Only as Components of Adhesives
Sec. 175.105 Adhesives.

Suppliers :
Advanced Biotech :furfural
98% min. natural
Advanced Biotech :furfural
96% min. synthetic
Endeavour :2-Furaldehyde
98%
Fleurchem :furfural
natural
Frutarom :FURFURAL (FURFURALDEHYDE) REDIST
≥99.00%, NI, Kosher
Odor:  Almond, Caramel, Sweet, Woody
Suggested Uses: Bakery, Cocoa, Coffee, Cranberry, Dairy Products, Meat
Inoue :FURFURAL
Mooreganics :Furfural
Natural (Organic Compliant)
Odor:  SWEET, WOODY, ALMOND, BREAD-LIKE, CARAMELLIC
Penta :furfural
Penta :furfural
natural
SAFC Global® :2-Furaldehyde
≥98%, FCC, Kosher
Odor:  almond; woody; sweet
SAFC Global® :2-Furaldehyde
≥98%, natural, FCC, Kosher
Odor:  almond; woody; sweet

Organoleptics :
Odor Type :bready
Odor Strength :medium ,
recommend smelling in a 1.00 % solution or less
Odor Description:
at 1.00 % in dipropylene glycol.  
sweet woody almond fragrant baked bread
Luebke, William tgsc, (1995)
Odor sample from :Sigma-Aldrich Inc.
Odor Description:
Sweet, brown, woody, bready, caramellic, with a slight phenolic nuance
Mosciano, Gerard P&F 18, No. 2, 38, (1993)
Taste Description:
at 30.00 ppm.  
Brown, sweet, woody, bready, nutty, caramellic with a burnt astringent nuance
Mosciano, Gerard P&F 18, No. 2, 38, (1993)
Substantivity :4  Hour(s)

Properties :
Appearence :colorless to pale yellow clear oily liquid
Food Chemicals Codex Listed :Yes
Vapor Pressure :2.21000 mm/Hg @ 25.00 °C.
Vapor Density :3.31 ( Air = 1 )
Flash Ppoint : 137.00  °F.  TCC  ( 58.33 °C. )
logP (o/w) : 0.41
Shelf Life : 12.00 month(s) or longer if stored properly.
Storage :store in cool, dry place in tightly sealed containers, protected from heat and light.

Safety :
Most important hazard(s) :T - Toxic.
  R 21 - Harmful in contact with skin.
R 23 - Toxic by inhalation.
R 25 - Toxic if swallowed.
R 36/37 - Irritating to eyes and respiratory system.
R 40 - Limited evidence of a carcinogenic effect.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
Oral Toxicity(LD50) : 
  Gavage-Rat   [sex: M,F]  M:145-204 F:90-119  mg/kg
(Brown, 1982)

Oral-Rat    65.00  mg/kg
Bromatologia i Chemia Toksykologiczna. Vol. 13, Pg. 371, 1980.

Oral-Mouse    400.00  mg/kg
Biochemical Journal. Vol. 34, Pg. 1196, 1940.

intravenous-Mouse    152.00  mg/kg
Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.

Intraperitoneal-Mouse    102.00  mg/kg
Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.

Oral-Guineapig    541.00  mg/kg
Hygiene and Sanitation Vol. 32(5), Pg. 158, 1967.

Dermal Toxicity(LD50) : 
  Skin-Rabbit  620.00  mg/kg
Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.

Subcutaneous-Rat  148.00  mg/kg
"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 279, 1969.

Subcutaneous-Mouse  119.00  mg/kg
Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.

Inhalation Toxicity(LC50) : 
  Inhalation-Rat  175.00  ppm/6H
  American Industrial Hygiene Association Journal. Vol. 50, Pg. A359, 1989.

 

Safety in Use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :440.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :460.00 (μg/capita/day)
Structure Class :II
 
Recommendation for furfural fragrance usage levels up to :
 not for fragrance use.
Recommendation for furfural flavor usage levels up to :
  50.0000 ppm in the flavor.

Safety References :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
EPA-Iris :IRIS
NIOSH International Chemical Safety Cards :search
NIOSH Pocket Guide :search
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Carcinogenic Potency Database :Search
EPA GENetic TOXicology :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
WISER :UN 1199
 
WGK Germany :2
 
 
 
 
furan-2-carbaldehyde
BioActivity Analysis :74455
(EINECS) Number :202-627-7
RTECS :98-01-1
Chemidplus :000098011
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :98-01-1
dtp/nci :8841

References :
 
furan-2-carbaldehyde
NIST Chemistry WebBook :993960364
Pubchem :150426
Flavornet :98-01-1

Cosmetics :
Cosmetic Uses : solvents

Other :
Export Tariff Code :2932.12.0000
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
Synonyms :
2-formyl furan
2-furaldehyde
2-furan aldehyde
2-furan carbonal
2-furan carboxaldehyde
 furan-2-carbaldehyde
 furfuraldehyde
2-furfuraldehyde
alpha-furfuraldehyde
 furfuryl aldehyde
2-furyl aldehyde
2-furyl carboxaldehyde
2-furyl methanal
 pyromucic aldehyde
 quakeral

Soluble in :
 alcohol
 water, 77000 mg/L @ 25C (est)

Potential Blenders :    note
 acetyl isovalerylFL
2-acetyl pyrazineFL/FR
2-acetyl pyrroleFL/FR
2-acetyl-2-thiazolineFL
 benzothiazoleFL
 butyraldehydeFL
2-oxobutyric acidFL
 caraway seed oleoresinFL/FR
dextro-carvoneFL/FR
 coffee furanoneFL
 coranolFR
 cubeb oilFL/FR
 diethyl malateFL
 dihydrolinaloolFL/FR
2,5-dihydroxy-1,4-dithianeFL
 diisoamyl thiomalateFL
3,6-dimethyl-3-octanolFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 filbert pyrazineFL/FR
 furfuryl alcoholFL
 furfuryl octanoateFL
 ho leaf oilFR
 ho wood oilFR
 linaloolFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
2,6-lutidineFL
 maltolFL/FR
 menthone lactoneFL/FR
4-methoxybenzoyl oxyacetic acidFL
3-methyl-2-buten-1-alFL/FR
2-naphthyl mercaptanFL
 octyl phenyl acetateFL/FR
 pinacolFL/FR
2-propionyl thiazoleFL
 pyruvaldehydeFL
 shoyu furanoneFL/FR
 strawberry furanone acetateFL/FR
 tetrahydrofurfuryl acetateFL/FR
 tetrahydrolinaloolFL/FR
2-thiophene thiolFL
 toffee furanoneFL/FR
 valeraldehydeFL/FR

Potential Uses :
 acorn 
 amyrisFL/FR
 angelicaFL/FR
 beef roasted beef 
 beerFL
 bread baked bread 
 calamus 
 caramelFL
 carawayFL/FR
 cinnamonFL
 coffeeFL
 cranberryFL
 cypress 
 eucalyptusFL/FR
 neroli 
 nutFL
 orris iris 
 petitgrainFL/FR
 tobacco tabac tabaco leaf 
 vetiver 

Natural Occurrence in :    note
data pageamyris wood oil @ <0.10% S
 bread white bread  
 coffee  
 cranberry S
data pageeschweilera coriacea (a. p. dc.) mori flower oil brazil @ 1.00% S
data pagelavender oil spike spain @ 9.485% S
data pagemalpighia glabra l. fruit oil @ 56.80% S
data pagemastic fruit oil @ 0.04% S
data pageosmanthus absolute @ trace% S
 potato chip  
 raspberry fruit  
PbMdrice cakes  
 rum  
 tea black tea  
data pagethyme oil spain @ 2.80% S
 whiskey malt whiskey  



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