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
jecfa number :450
fl. number :13.018
molar refractivity :25.30 ± 0.3 cm3
parachor :206.3 ± 4.0 cm3
index of refraction :1.515 ± 0.02
surface tension :36.5 ± 3.0 dyne/cm
density :1.145 ± 0.06 g/cm3
polarizability :10.03 ± 0.5 10-24cm3
XlogP : 0.40
molecular weight : 96.0840600 (IUPAC)
formula :C5 H4 O2
BioActivity Analysis :74455
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2932.12.0000
fda reg :175.105
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
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.15300 to 1.16200 @ 25.00 °C.
pounds per gallon - calc. : 9.594 to 9.669
refractive index :1.52100 to 1.52900 @ 20.00 °C.
melting point : -36.00 °C. @ 760.00 mm Hg
boiling point : 161.00 to 162.00 °C. @ 760.00 mm Hg
boiling point : 72.00 °C. @ 25.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :2.21000 mm/Hg @ 25.00 °C.
vapor density :3.31 ( Air = 1 )
flash point : 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

Oral-Mouse    400.00  mg/kg

intravenous-Mouse    152.00  mg/kg

Intraperitoneal-Mouse    102.00  mg/kg

Oral-Guineapig    541.00  mg/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  620.00  mg/kg

Subcutaneous-Rat  148.00  mg/kg

Subcutaneous-Mouse  119.00  mg/kg

Inhalation Toxicity(LC50) : 
  Inhalation-Rat  175.00  ppm/6H
  
 
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
(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
fl. number :13.018
jecfa number :450
NIST Chemistry WebBook :993960364
pubchem :150426
Flavornet :98-01-1
Cosmetics :
Cosmetic uses : solvents
other :
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
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
dextro-carvoneFL/FR
 coffee furanoneFL
 coranolFR
 cubeb oilFL/FR
 diethyl malateFL
 dihydrolinaloolFL/FR
2,5-dihydroxy-1,4-dithianeFL
 diisoamyl thiomalateFL
2,6-dimethyl pyridineFL
3,6-dimethyl-3-octanolFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 filbert pyrazineFL
 furfuryl alcoholFL
 furfuryl octanoateFL
 ho leaf oilFR
 ho wood oilFR
 linaloolFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 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
 amyris
 angelica
 beef roasted beef
 beer
 bread baked bread
 calamus
 caramel
 caraway
 cinnamon
 coffee
 cranberry
 cypress
 eucalyptus
 neroli
 nut
 orris iris
 petitgrain
 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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