furfuryl butyrate
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Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :furan-2-ylmethyl butanoate
InChI :InChI=1/C9H12O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h3,5-6H,2,4,7H2,1H3
InChIKey :IXISGRHWGVGCAK-UHFFFAOYAJ
SMILES :CCCC(=O)OCC1=CC=CO1
cas number :623-21-2
(EINECS) number :210-779-0
coe number :638
jecfa number :759
fl. number :13.130
molar refractivity :43.77 ± 0.3 cm3
parachor :381.9 ± 4.0 cm3
index of refraction :1.466 ± 0.02
surface tension :34.1 ± 3.0 dyne/cm
density :1.064 ± 0.06 g/cm3
polarizability :17.35 ± 0.5 10-24cm3
XlogP : 1.50
molecular weight : 168.1897800
formula :C9 H12 O3
NMR Predictor :Predict
 
 
export tariff code :2915.60.0000
fda reg :unspecified

Suppliers :
Cargill - Alfrebro :FURFURYL BUTYRATE
Kosher
Frutarom :FURFURYL BUTYRATE
≥99.00%, NI, Kosher
Odor:  Banana, Bread, Fruity, Sweet
Penta :furfuryl butyrate
Sigma-Aldrich-SAFC :Furfuryl butyrate
≥99%, Kosher

organoleptics :
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
grape fruity green

properties :
appearence :yellow to amber clear oily liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.04800 to 1.05400 @ 20.00 °C.
pounds per gallon - calc. : 8.731 to 8.781
refractive index :1.45600 to 1.46200 @ 20.00 °C.
boiling point : 129.00 to 130.00 °C. @ 52.00 mm Hg
boiling point : 115.00 °C. @ 30.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor density :5.7 ( Air = 1 )
flash point : 195.00  °F.  TCC  ( 90.56 °C. )
logP (o/w) : 2.15

safety :
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.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for furfuryl butyrate usage levels up to :
 not for fragrance use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
 
WGK Germany :3
 
 
 
 furan-2-ylmethyl butanoate
(EINECS) number :210-779-0
chemidplus :000623212
EPA Substance Registry Services :623-21-2
dtp/nci :35555

references :
 furan-2-ylmethyl butanoate
fl. number :13.130
jecfa number :759
NIST Chemistry WebBook :343570249
pubchem :197426

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 butanoic acid 2-furanyl methyl ester
 butyric acid furfuryl ester
 furan-2-ylmethyl butanoate
 furfuryl butanoate
2-furyl methyl butanoate

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl anthranilate
isoamyl 3-methyl thiopropionate
 amyl anthranilate
isoamyl propionate
 apple crotonate
 buchu mercaptan
 butyl anthranilate
isobutyl anthranilate
isobutyl isobutyrate
 cassis pentanone
 cinnamyl anthranilate
 cinnamyl propionate
 citronellyl acetate
 cognac oil white
 curacao peel oil
 decyl anthranilate
 ethyl (E,Z)-2,4-decadienoate
 ethyl 3-hydroxyhexanoate
 ethyl 3-octenoate
 ethyl anthranilate
 ethyl decanoate
 ethyl propionate
 fig crotonate
 geranyl methyl tiglate
 grape butyrate
 green carboxylate
 heptanal dimethyl acetal
3-hexanone
(Z)-3-hexen-1-yl anthranilate
(E)-2-hexen-1-yl isovalerate
 hexyl isobutyrate
 lime oil distilled terpeneless
 maltyl isobutyrate
 methyl 2-(methyl thio) butyrate
 methyl anthranilate
 methyl formyl anthranilate
 methyl thiomethyl butyrate
beta-naphthyl ethyl ether
 octanal / methyl anthranilate schiff's base
2-octen-4-one
 passiflora acetate
1-penten-3-ol
 petitgrain mandarin oil
 petitgrain mandarin oil terpeneless
 phenethyl acetate
 phenethyl anthranilate
isopropenyl acetate
 propyl heptanoate
 propyl isobutyrate
 tropical 3-thiobutyrate
 tropical indene
 tropical ionone
 tropical thiazole
 viridiflorol

(odor and/or flavor) used in :
 coffee
 dairy
 fruit
 grape
 licorice
 pork

natural occurrence in :
coffee
dairy products
licorice
pork



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