benzyl ethyl ether
 
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IUPAC name :ethoxymethylbenzene
InChI :InChI=1/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey :AXPZDYVDTMMLNB-UHFFFAOYAN
SMILES :CCOCC1=CC=CC=C1
(EINECS) number :208-714-6
cas number :539-30-0
fema number :2144
coe number :521
jecfa number :1252
fl. number :03.003
molar refractivity :42.18 ± 0.3 cm3
parachor :343.3 ± 4.0 cm3
index of refraction :1.493 ± 0.02
surface tension :31.3 ± 3.0 dyne/cm
density :0.938 ± 0.06 g/cm3
polarizability :16.72 ± 0.5 10-24cm3
xlogp : 2.20
molecular weight : 136.1909800
formula :C9 H12 O
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

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

properties :
appearence :colorless clear oily liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.94700 - 0.95100 @ 25.00 °C.
pounds per gallon - calc. : 7.880 to 7.913
refractive index :1.49300 - 1.49800 @ 20.00 °C.
boiling point : 87.00 - 88.00 °C. @ 30.00 mm Hg
boiling point : 186.00 - 187.00 °C. @ 760.00 mm Hg
logp : 2.16

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.0024 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :2.00 (μg/capita/day)
  
flash point ( Deg. F. ) : 143.00  °F.  TCC  ( 61.67 °C. )
  
recommendation for benzyl ethyl ether usage levels up to :
  1.0000 % in the fragrance concentrate.
  
recommendation for benzyl ethyl ether usage levels up to :
  8.0000 ppm in the flavor.
  

safety links :
(EINECS) number :208-714-6
chemidplus :000539300
epa-srs :539-30-0
dtp/nci :8066
  
EPI System :Click here

other :
 

references :
jecfa number :1252
fl. number :03.003
pubchem :154177
NIST Chemistry WebBook :1303956868
  
synonyms :
 benzyl ethyl ether
 benzyl ethyl oxide
(ethoxymethyl) benzene
 ethyl benzyl ether
 benzyl ethylether
 benzylethylether
(ethoxymethyl)benzene
soluble in :
 alcohol
 ether
 water, 1240 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
2-acetyl furan
 allyl 10-undecenoate
 allyl 3,5,5-trimethyl hexanoate
 allyl amyl glycolate
 allyl butyrate
 allyl cinnamate
 allyl cyclohexyl acetate
 allyl cyclohexyl butyrate
 allyl cyclohexyl propionate
 allyl heptanoate
 allyl hexanoate
 allyl isovalerate
 allyl nonanoate
 allyl octanoate
 allyl phenoxyacetate
 allyl salicylate
 allyl sorbate
 allyl tiglate
delta6-isoambrettolide
isoamyl 3-methyl thiopropionate
 amyl butyrate
 amyl cinnamate
isoamyl cinnamate
 amyl hexanoate
isoamyl hexanoate
isoamyl isobutyrate
isoamyl octanoate
 amyl phenyl acetate
isoamyl phenyl acetate
 amyl propionate
isoamyl propionate
para-anisyl propanal
 benzyl isovalerate
 benzyl octanoate
3-benzyl-4-heptanone
 berry hexanoate
 blackberry thiophenone
 bois de rose oil
 buchu mercaptan
isobutyl 2-butenoate
 butyl 2-methyl butyrate
 butyl butyrate
isobutyl butyrate
 butyl cinnamate
isobutyl furyl propionate
 butyl hexanoate
isobutyl hexanoate
 butyl isobutyrate
isobutyl isobutyrate
 butyl isovalerate
isobutyl isovalerate
 butyl valerate
2-isobutyl-3,(5 and 6)-dimethyl pyrazine
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
 butyraldehyde
 campholene acetate
 cherry pentenoate
 chocolate pyrazine A
 chocolate pyrazine B
 cinnamyl isobutyrate
 cocoa butenal
 cocoa hexenal
 cocoa oleoresin
 cocoa pentenal
 cocoa propanal
3,6-cocoa pyrazine
 cognac heptanone
 conifer acetate
 cyclohexyl butyrate
 cyclohexyl ethyl acetate
 cyclohexyl hexanoate
beta-damascenone
 dihydro-alpha-ionone
 dihydrolinalool
2,5-dimethyl pyrazine
2,6-dimethyl pyrazine
2,6-dimethyl pyridine
4,5-dimethyl-2-ethyl thiazole
3,6-dimethyl-3-octanol
2,4-dimethyl-5-vinyl thiazole
 ethyl (E)-2-octenoate
 ethyl (E)-4-decenoate
 ethyl (Z)-4-octenoate
 ethyl 2-hydroxy-3-methyl valerate
 ethyl 3-(2-furyl) propanoate
 ethyl 3-hexenoate
 ethyl 3-hydroxyhexanoate
 ethyl 3-methyl valerate
 ethyl 3-oxohexanoate
2-ethyl butyraldehyde
 ethyl butyrate
 ethyl cyclohexane propionate
 ethyl heptanoate
 ethyl hexanoate
 ethyl isovalerate
 ethyl levulinate
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
 ethyl methyl mercaptopropionate
 ethyl methyl-para-tolyl glycidate
 ethyl ortho-anisate
 ethyl phenyl acetate
 ethyl propionate
 ethyl valerate
2-ethyl-4-butanol
 fenugreek oleoresin
 fenugreek resinoid
 furfuryl valerate
 galbanum ketone
 galbanum oxyacetate
 geranyl butyrate
 geranyl isovalerate
 heliotropyl acetone
 heliotropyl isobutyrate
4-heptanone
 herbal undecanone
(Z)-3-hexen-1-yl 2-methyl butyrate
3-hexen-1-yl 2-methyl butyrate
(E)-2-hexen-1-yl valerate
 hyacinth ether
beta-ionone
beta-ionone epoxide
beta-ionyl acetate
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
 linalyl hexanoate
 maltyl propionate
 melon valerate
dextro,laevo-menthyl acetate
2-methoxypyrazine
 methyl (Z)-4-octenoate
 methyl 2-hexenoate
 methyl 2-methyl valerate
 methyl 4-(methyl thio) butyrate
 methyl 4-methyl valerate
2-methyl butyraldehyde
 methyl butyrate
 methyl ethoxypyrazine
 methyl hexanoate
 methyl isobutyrate
 methyl isovalerate
 methyl octenoate
2-methyl pyrazine
 methyl valerate
2-methyl-3,(5 or 6)-ethoxypyrazine
 neryl isobutyrate
(E)-5-nonen-2-one
3-nonen-2-one
(E)-2-octen-1-yl butyrate
(E)-2-octen-4-ol
 octyl phenyl acetate
 octyl propionate
 osmanthus absolute
 peanut dithiazine
 phenethyl hexanoate
 phenethyl octanoate
 phenyl acetaldehyde
2-phenyl propyl isobutyrate
3-phenyl propyl isovalerate
 pineapple heptadienone 10%
 pineapple hydroxyhexanoate
 pineapple pentenoate
isopropenyl acetate
 propionaldehyde
isopropyl 2-methyl butyrate
 propyl acetate
 propyl butyrate
isopropyl butyrate
 propyl formate
isopropyl formate
 propyl heptanoate
 propyl hexanoate
isopropyl hexanoate
isopropyl isobutyrate
isopropyl isovalerate
 propyl propionate
isopropyl propionate
 prune glycidate
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rose carboxylate
 sorbyl isobutyrate
 sorbyl propionate
 styralyl butyrate
 tetrahydrofurfuryl butyrate
 tetrahydrolinalool
2,3,5,6-tetramethyl pyrazine
 thiogeraniol
4-(para-tolyl)-2-butanone
2,3,5-trimethyl pyrazine
2,4,5-trimethyl thiazole
 tropical 3-thiobutyrate
 tropical ionone
 tropical oxathiane
2-undecanone
 valeraldehyde
gamma-valerolactone
 vanilla carboxylate
 vinyl sulfurol
(odor and/or flavor) used in :
 berry
 chocolate cocoa
 fruit
 vanilla
natural occurrence in :
cocoa
raspberry



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