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
formula :C5 H4 O2
BioActivity Analysis :74455
 
 
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
Mooreganics :Furfural
Natural (Organic Compliant)
Penta :furfural
Penta :furfural
natural
Sigma-Aldrich-SAFC :2-Furaldehyde
≥98%, FCC, Kosher
Odor:  almond; woody; sweet
Sigma-Aldrich-SAFC :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 :¹
at 1.00 % in dipropylene glycol.  
sweet woody almond fragrant baked bread
odor sample from :Sigma-Aldrich Inc.
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 : 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 :
Maximised Survey-derived Daily Intakes (MSDI-EU) :440.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :460.00 (μg/capita/day)
 
recommendation for furfural usage levels up to :
 not for fragrance use.
recommendation for furfural 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

Cosmetics :
Cosmetic uses : solvents

other :
reference : Luebke, William tgsc, (1995)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
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

(odor and/or flavor) blends with :
 acetyl isovaleryl
2-acetyl pyrazine
2-acetyl pyrrole
2-acetyl-2-thiazoline
 benzothiazole
 butyraldehyde
2-oxobutyric acid
 caraway seed oleoresin
dextro-carvone
 coffee furanone
 coranol
 cubeb oil
 diethyl malate
 dihydrolinalool
2,5-dihydroxy-1,4-dithiane
 diisoamyl thiomalate
2,6-dimethyl pyridine
3,6-dimethyl-3-octanol
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
 filbert pyrazine
 furfuryl alcohol
 furfuryl octanoate
 ho leaf oil
 ho wood oil
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
 maltol
 menthone lactone
4-methoxybenzoyl oxyacetic acid
3-methyl-2-buten-1-al
2-naphthyl mercaptan
 octyl phenyl acetate
 pinacol
2-propionyl thiazole
 pyruvaldehyde
 shoyu furanone
 strawberry furanone acetate
 tetrahydrofurfuryl acetate
 tetrahydrolinalool
2-thiophene thiol
 toffee furanone
 valeraldehyde

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



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