furfuryl acetate
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Notes :
Blends well with pungent and spicy notes.
 
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IUPAC name :furan-2-ylmethyl acetate
InChI :InChI=1/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
InChIKey :CKOYRRWBOKMNRG-UHFFFAOYAE
SMILES :CC(=O)OCC1=CC=CO1
cas number :623-17-6
(EINECS) number :210-775-9
beilstein number :0116128
fema number :2490
coe number :2065
jecfa number :739
fl. number :13.128
molar refractivity :34.50 ± 0.3 cm3
parachor :302.3 ± 4.0 cm3
index of refraction :1.464 ± 0.02
surface tension :34.1 ± 3.0 dyne/cm
density :1.120 ± 0.06 g/cm3
polarizability :13.68 ± 0.5 10-24cm3
XlogP : 0.60
molecular weight : 140.1366200
formula :C7 H8 O3
BioActivity Analysis :17388992
NMR Predictor :Predict
 
 
export tariff code :2932.19.0000
fda reg :unspecified

Suppliers :
Advanced Biotech :furfuryl acetate
98% min. natural
Apple :Furfuryl acetate
Bedoukian Research :FURFURYL ACETATE
≥98.0%, Kosher
Odor:  fruity, banana-like
Cargill - Alfrebro :FURFURYL ACETATE
natural, Kosher
Fleurchem :furfuryl acetate
natural
Frutarom :FURFURYL ACETATE
≥99.00%, NI, Kosher
Odor:  Fruity, Roast, Sweet
Inoue :FURFURYL ACETATE
Penta :furfuryl acetate
Sigma-Aldrich-SAFC :Furfuryl acetate
≥98%, Kosher, FG
Sigma-Aldrich-SAFC :Furfuryl acetate
≥98%, natural, Kosher

organoleptics :
odor type :fruity
odor strength :medium
odor description :¹
at 100.00 %.  
sweet fruity banana horseradish
odor sample from :CA Aromatics Company Inc.
substantivity :12  Hour(s)

properties :
appearence :yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.11000 to 1.11900 @ 25.00 °C.
pounds per gallon - calc. : 9.236 to 9.311
refractive index :1.45700 to 1.46600 @ 20.00 °C.
boiling point : 175.00 to 177.00 °C. @ 760.00 mm Hg
boiling point : 70.00 °C. @ 4.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.90000 mm/Hg @ 20.00 °C.
vapor density :4.8 ( Air = 1 )
flash point : 150.00  °F.  TCC  ( 65.56 °C. )
logP (o/w) : 1.09
shelf life : 24.00 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) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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 :
Maximised Survey-derived Daily Intakes (MSDI-EU) :16.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :21.00 (μg/capita/day)
 
recommendation for furfuryl acetate usage levels up to :
  0.5000 % in the fragrance concentrate.

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
Chemical Carcinogenesis Research Information System :Search
Env. Mutagen Info. Center :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 furan-2-ylmethyl acetate
(EINECS) number :210-775-9
RTECS :LU9120000 for 623-17-6
chemidplus :000623176
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :623-17-6

references :
 furan-2-ylmethyl acetate
fl. number :13.128
jecfa number :739
NIST Chemistry WebBook :3542685151
pubchem :155490

other :
reference : Luebke, William tgsc, (1996)¹
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 acetic acid furfuryl ester
2-acetoxymethyl furan
2-furan methanol acetate
2-furan methyl acetate
 furan-2-ylmethyl acetate
 furfuryl alcohol acetate
2-furyl carbinyl acetate

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl heptanoate
 allyl isovalerate
 allyl octanoate
 allyl salicylate
isoamyl 3-methyl thiopropionate
 amyl acetate
isoamyl acetate
 amyl butyrate
isoamyl butyrate
 amyl heptanoate
isoamyl heptanoate
isoamyl hexanoate
 amyl isobutyrate
isoamyl isobutyrate
isoamyl propionate
 benzyl propionate
 bois de rose oil
 buchu mercaptan
isobutyl 2-butenoate
 butyl acetate
isobutyl acetate
 butyl isobutyrate
isobutyl propionate
 cassis pentanone
 citronellyl acetate
 cognac heptanone
 coranol
 cubeb oil
 cyclohexyl formate
 cyclohexyl isovalerate
 cyclohexyl propionate
 diethyl maleate
 dihydrolinalool
3,6-dimethyl-3-octanol
 ethyl (E,Z)-2,4-decadienoate
 ethyl 3-octenoate
2-ethyl butyl acetate
 ethyl hexanoate
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
 ethyl octanoate
 furfuryl propionate
 geranyl methyl tiglate
 heptanal dimethyl acetal
(Z)-3-hepten-1-yl acetate
(E)-2-hexen-1-al
(E)-2-hexen-1-ol
(E)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl acetate
(E)-2-hexen-1-yl butyrate
(E)-2-hexen-1-yl isovalerate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
 hexyl acetate
 hexyl formate
 ho leaf oil
 ho wood oil
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
 linalyl butyrate
 maltyl isobutyrate
 methyl (E)-2-hexenoate
 methyl 2-(methyl thio) butyrate
 methyl 4-methyl valerate
2-methyl butyl acetate
 methyl butyrate
 methyl thiomethyl butyrate
(E)-2-octen-1-al
(Z)-5-octen-1-yl propionate
2-octen-4-one
 octyl phenyl acetate
 passiflora acetate
2-pentanone
1-penten-3-ol
 phenethyl acetate
 phenethyl hexanoate
 pineapple pentenoate
 prenyl acetate
isopropyl acetate
 propyl isobutyrate
isopropyl octanoate
isopropyl propionate
 tetrahydrolinalool
 tropical 3-thiobutyrate
 tropical indene
 tropical ionone
 tropical thiazole
 violet methyl carbonate
 viridiflorol

(odor and/or flavor) used in :
 apple
 banana
 chocolate cocoa
 coffee
 fruit tropical fruit
 horseradish
 nut almond
 nut filbert
 nut hazelnut
 nut peanut
 pear
 raspberry
 rum

natural occurrence in :
almond roasted almond
beer 973 ppm
cocoa
coffee roasted 12103 ppm
filbert
hazelnut roasted hazelnut
peanut roasted peanut
rum



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