prenyl ethyl ether
 
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IUPAC name :1-ethoxy-3-methylbut-2-ene
InChI :InChI=1/C7H14O/c1-4-8-6-5-7(2)3/h5H,4,6H2,1-3H3
InChIKey :HPMSQLYFMOOLKS-UHFFFAOYAO
SMILES :CCOCC=C(C)C
cas number :22094-00-4
fema number :3777
jecfa number :1232
fl. number :03.019
molar refractivity :36.12 ± 0.3 cm3
parachor :313.7 ± 4.0 cm3
index of refraction :1.416 ± 0.02
surface tension :22.6 ± 3.0 dyne/cm
density :0.793 ± 0.06 g/cm3
polarizability :14.32 ± 0.5 10-24cm3
xlogp : 1.60
molecular weight : 114.1854600
formula :C7 H14 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Givaudan :Prenyl ethyl ether
≥95%, NI, Kosher

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

properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.79700 to 0.80200 @ 25.00 °C.
pounds per gallon - calc. : 6.632 to 6.673
refractive index :1.41600 to 1.42200 @ 20.00 °C.
boiling point : 120.00 to 121.00 °C. @ 760.00 mm Hg
logp : 2.35

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.73 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :2.00 (μg/capita/day)
flash point ( Deg. F. ) : 32.00  °F.  TCC  ( 0.00 °C. )
recommendation for prenyl ethyl ether usage levels up to :
  0.6000 % in the fragrance concentrate.
recommendation for prenyl ethyl ether usage levels up to :
  10.0000 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
 
 
 1-ethoxy-3-methylbut-2-ene
chemidplus :022094004
EPA Substance Registry Services :22094-00-4
NLM Chemical Carcinogenesis Research Information System :22094-00-4
NLM Developmental and Reproductive Toxicity :22094-00-4
NLM Env. Mutagen Info. Center :22094-00-4
NLM GENetic TOXicology :22094-00-4

references :
 1-ethoxy-3-methylbut-2-ene
jecfa number :1232
fl. number :03.019
pubchem :204707

other :
synonyms :
 ethoxy-3-methyl-2-butene
 ethyl 3-methyl-2-butenyl ether
 prenyl ethyl ether

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl amyl glycolate
 allyl butyrate
isoamyl 2-methyl butyrate
isoamyl benzoate
isoamyl butyrate
isoamyl isovalerate
isoamyl octanoate
 ascorbic acid
 bark carbaldehyde
 boronia absolute
 butyl heptanoate
 butyl isobutyrate
isobutyl propionate
sec-butyl-3-methyl but-2-ene thioate
 cherry pentenoate
 citronellyl acetate
beta-cyclocitral
2-cyclopentyl cyclopentanone
alpha-decalactone
3-decanone
 dibutyl sulfide
 diethyl malonate
 dimethyl succinate
3,7-dimethyl-6-octenoic acid
(E,E)-2,4-dodecadien-1-ol
2-dodecanone
 ethyl (E)-2-octenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-octenoate
 ethyl 3-acetoxyhexanoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetoacetate
2-ethyl pyridine
 furfuryl propionate
3-(2-furyl) acrolein
 green carboxylate
 heptanal cyclic ethylene acetal
2-heptanol
(Z)-3-hepten-1-ol
3-hepten-2-one
2-heptenoic acid
 heptyl heptanoate
 hexanal dihexyl acetal
(Z)-3-hexen-1-al
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
2-hexen-1-ol
(E)-3-hexen-1-yl acetate
(E)-2-hexen-1-yl formate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(Z)-3-hexenoic acid
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl acetate
 hexyl octanoate
 lilac acetaldehyde
 litsea cubeba oil
 melon valerate
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-undecynoate
 methyl acetoacetate
 methyl heptanoate
 methyl R-3-acetoxyhexanoate
3-(methyl thio) hexanal
2-methyl valeraldehyde
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
2-methyl-2-penten-1-al
3-methyl-3-pentanol
 mimosa absolute
 myrtenyl acetate
 nerolidyl isobutyrate
(E,E)-3,5-octadien-2-one
 octen-1-yl cyclopentanone
 octyl 2-methyl butyrate
2-pentyl furan
 phenoxyethyl isobutyrate
 pineapple pentenoate
 prenyl hexanoate
isopropyl 2-methyl butyrate
isopropyl isobutyrate
 propylene acetal
 rhubarb undecane
 tagete oil india
(Z)-8-tetradecen-1-al
 tetrahydrofurfuryl butyrate
 timber dioxolane
3,5,5-trimethyl hexanol
 tropical indene
 tropical thiazole
(E)-2-undecen-1-al
 violet dienyne

(odor and/or flavor) used in :
 citrus
 fruit
 grass
 green
 lemon

natural occurrence in :
found in nature



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