tetrahydrofurfuryl propionate
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IUPAC name :oxolan-2-ylmethyl propanoate
InChI :InChI=1/C8H14O3/c1-2-8(9)11-6-7-4-3-5-10-7/h7H,2-6H2,1H3
InChIKey :FMKCDSXOYLTWBR-UHFFFAOYAC
SMILES :CCC(=O)OCC1CCCO1
cas number :637-65-0
(EINECS) number :211-297-3
fema number :3058
coe number :11843
jecfa number :1445
fl. number :13.049
molar refractivity :40.41 ± 0.3 cm3
parachor :373.1 ± 4.0 cm3
index of refraction :1.438 ± 0.02
surface tension :34.6 ± 3.0 dyne/cm
density :1.028 ± 0.06 g/cm3
polarizability :16.02 ± 0.5 10-24cm3
XlogP : 0.80
molecular weight : 158.1949600
formula :C8 H14 O3
BioActivity Analysis :452169
NMR Predictor :Predict
 
 
export tariff code :2932.19.0000
fda reg :172.515

Suppliers :
Bedoukian Research :TETRAHYDROFURFURYL PROPIONATE
≥96.0%, Kosher
Odor:  nutty, banana
Frutarom :TETRAHYDROFURFURYL PROPIONATE
≥99.00%, NI, Kosher
Odor:  Fruity, Musty, Nutty, Sweet
Inoue :TETRAHYDRO FURFURYL PROPIONATE
Penta :tetrahydrofurfuryl propionate
Sigma-Aldrich-SAFC :(+/-)-Tetrahydrofurfuryl propionate
≥96.0%

organoleptics :
odor type :nutty
odor strength :medium
odor description :¹
at 100.00 %.  
oily paint fruity violet leaf tropical
odor sample from :Sigma-Aldrich Inc.
substantivity :4 hour(s) at 100.00 %

properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.02800 to 1.03500 @ 25.00 °C.
pounds per gallon - calc. : 8.554 to 8.612
refractive index :1.43500 to 1.44500 @ 20.00 °C.
boiling point : 205.00 to 207.00 °C. @ 760.00 mm Hg
boiling point : 64.00 to 68.00 °C. @ 3.00 mm Hg
acid value : 4.00  max.  KOH/g
vapor density :5.4 ( Air = 1 )
flash point : 198.00  °F.  TCC  ( 92.22 °C. )
logP (o/w) : 1.39

safety :
most important hazard(s) :Xi - Irritant
  R 22 - Harmful if swallowed.
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 - 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) :0.051 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :5.00 (μg/capita/day)
 
recommendation for tetrahydrofurfuryl propionate usage levels up to :
 not for fragrance use.
recommendation for tetrahydrofurfuryl propionate usage levels up to :
  500.0000 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
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1993
 
WGK Germany :3
 
 
 
 oxolan-2-ylmethyl propanoate
(EINECS) number :211-297-3
chemidplus :000637650
EPA Substance Registry Services :637-65-0
dtp/nci :203419

references :
 oxolan-2-ylmethyl propanoate
fl. number :13.049
jecfa number :1445
NIST Chemistry WebBook :3946772525
pubchem :197443

other :
reference : Luebke, William tgsc, (2007)¹
synonyms :
 oxolan-2-ylmethyl propanoate
 propionic acid tetrahydrofurfuryl ester
 tetrahydro-2-furyl methyl propionate
 tetrahydrofurfuryl propanoate
dextro,laevo-tetrahydrofurfuryl propionate
2-tetrahydrofuryl methyl propionate

soluble in :
 alcohol
 water, slightly

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl hexanoate
 allyl phenyl acetate
isoamyl pyruvate
 berry pentadienoate
 butyl acetoacetate
isobutyl butyrate
 butyl formate
 butyl lactate
 butyl laevo-lactate
 cognac oil white
 cyclohexanone diethyl acetal
 decyl propionate
 dibutyl sulfide
 diisoamyl thiomalate
 ethyl (E)-crotonate
 ethyl 2-methyl-2-pentenoate
 ethyl acetate
 ethyl cyclopentenolone
 ethyl heptanoate
 ethyl hydrocinnamate
 ethyl nonanoate
 ethyl propionate
 ethyl pyruvate
 fruity carboxylate
 geranyl acetoacetate
 geranyl methyl tiglate
 heptanol
 heptyl acetate
3-hexanone
(Z)-3-hexen-1-yl (Z)-3-hexenoate
(E)-2-hexen-1-yl formate
(E)-2-hexen-1-yl phenyl acetate
1-hexen-3-ol
1-hexen-3-yl acetate
 linalyl propionate
 methyl octine carbonate
 methyl propionate
 methyl thiol isovalerate
 methyl tiglate
(E,E)-2,4-nonadien-1-al
(E,Z)-2,6-nonadien-1-al
(E,Z)-2,6-nonadien-1-al diethyl acetal
(E,Z)-2,6-nonadien-1-ol
 orris root concrete
2-phenyl propyl butyrate
 prenyl formate
 propyl alcohol
 propyl formate
 pyruvaldehyde
 tetrahydrofurfuryl acetate
 valeraldehyde
 violet decenol
 violet dienyne
 violet leaf concrete

(odor and/or flavor) used in :
 apricot
 banana
 caramel
 chocolate
 fruit
 herbal
 nut
 rum
 tropical

natural occurrence in :
not found in nature



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