epoxy-2-decenal
Suppliers  organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :(E)-3-[(2R,3S)-3-pentyloxiran-2-yl]prop-2-enal
InChI :InChI=1/C10H16O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h5,7-10H,2-4,6H2,1H3/b7-5+/t9-,10+/m0/s1
InChIKey :HIOMEXREAUSUBP-IUUOVRRDBZ
SMILES :CCCCC[C@H]1[C@H](O1)/C=C/C=O
cas number :134454-31-2
fema number :4037
jecfa number :1570
molar refractivity :49.98 ± 0.3 cm3
parachor :409.8 ± 4.0 cm3
index of refraction :1.519 ± 0.02
surface tension :38.4 ± 3.0 dyne/cm
density :1.022 ± 0.06 g/cm3
polarizability :19.81 ± 0.5 10-24cm3
XlogP : 2.50
XlogP3-AA : 2.00
molecular weight : 168.2328400 (IUPAC)
formula :C10 H16 O2
NMR Predictor :Predict
 
 
IUPAC name :(E)-3-[(2S,3R)-3-pentyloxiran-2-yl]prop-2-enal
InChI :InChI=1/C10H16O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h5,7-10H,2-4,6H2,1H3/b7-5+/t9-,10+/m1/s1
InChIKey :HIOMEXREAUSUBP-NVETZNIKBO
SMILES :CCCCC[C@@H]1[C@@H](O1)/C=C/C=O
cas number :188590-62-7
fema number :4037
jecfa number :1570
fl. number :16.071
molar refractivity :49.98 ± 0.3 cm3
parachor :409.8 ± 4.0 cm3
index of refraction :1.519 ± 0.02
surface tension :38.4 ± 3.0 dyne/cm
density :1.022 ± 0.06 g/cm3
polarizability :19.81 ± 0.5 10-24cm3
XlogP : 2.50
XlogP3-AA : 2.00
molecular weight : 168.2328400 (IUPAC)
formula :C10 H16 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Frutarom :4,5-EPOXY-(E)-2-DECENAL
≥80.00%, Kosher
Odor:  Citrus, Fatty
Suggested Uses: Ghee
organoleptics :
odor type :citrus
odor description:
at 100.00 %.  		citrus metallic green aldehydic
properties :
appearence :colorless to pale yellow clear liquid
assay : 90.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.94500 to 0.96500 @ 20.00 °C.
pounds per gallon - calc. : 7.873 to 8.039
refractive index :1.47100 to 1.48100 @ 20.00 °C.
boiling point : 92.00 °C. @ 5.00 mm Hg
boiling point : 80.00 to 83.00 °C. @ 0.65 mm Hg
acid value : 10.00  max.  KOH/g
PH number :10.00
flash point :not determined
logP (o/w) : 1.73
storage :refrigerate in tightly sealed containers.  store under nitrogen.
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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
 
recommendation for epoxy-2-decenal fragrance usage levels up to :
 not for fragrance use.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 21
 average usual ppmaverage maximum ppm
baked goods : 0.100001.00000
beverages(nonalcoholic) : 0.001000.10000
beverages(alcoholic) : 0.001000.10000
breakfast cereal : 0.001000.10000
cheese : 0.100001.00000
chewing gum : 0.001000.10000
condiments / relishes : 0.100001.00000
confectionery froastings : 0.001000.10000
egg products : 0.100001.00000
fats / oils : 0.100001.00000
fish products : 0.100001.00000
frozen dairy : 0.010000.50000
fruit ices : 0.010000.50000
gelatins / puddings : 0.010000.50000
granulated sugar : 0.001000.10000
gravies : 0.100001.00000
hard candy : 0.001000.10000
imitation dairy : 0.100001.00000
instant coffee / tea : 0.100001.00000
jams / jellies : 0.001000.10000
meat products : 0.100001.00000
milk products : 0.100001.00000
nut products : 0.010001.00000
other grains : 0.010001.00000
poultry : 0.100001.00000
processed fruits : 0.010001.00000
processed vegetables : 0.010001.00000
reconstituted vegetables : 0.010001.00000
seasonings / flavors : 2.0000010.00000
snack foods : 0.100001.00000
soft candy : 0.001000.10000
soups : 0.100001.00000
sugar substitutes : 0.001000.10000
sweet sauces : 0.100001.00000
safety references :
EPI System :view
 
WGK Germany :1
 
 
 
 
(E)-3-[(2R,3S)-3-pentyloxiran-2-yl]prop-2-enal
chemidplus :134454312
EPA Substance Registry Services :134454-31-2
 
 
 
(E)-3-[(2S,3R)-3-pentyloxiran-2-yl]prop-2-enal
chemidplus :188590-62-7
EPA Substance Registry Services :188590-62-7
references :
Leffingwell :chirality
 
(E)-3-[(2R,3S)-3-pentyloxiran-2-yl]prop-2-enal
jecfa number :1570
NIST Chemistry WebBook :3754992993
pubchem :36465734
Flavornet :134454-31-2
 
(E)-3-[(2S,3R)-3-pentyloxiran-2-yl]prop-2-enal
fl. number :16.071
jecfa number :1570
NIST Chemistry WebBook :206589527
pubchem :10506935
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
(E)-4,5-epoxy-(E)-2-decen-1-al
(E)-4,5-epoxy-(E)-2-decenal
4,5-epoxydec-2(trans)-enal
(E)-4,5-(E)-2-epoxydecen-1-al
3-(3-pentyl oxiran-2-yl) prop-(E)-2-enal
(E)-3-[(2R,3S)-3-pentyloxiran-2-yl]prop-2-enal
soluble in :
 alcohol
 water
potential blenders :    note
 cassis pentanoneFL/FR
 citronellyl nitrileFR
 coriander leaf oilFL/FR
 cumin acetaldehydeFL/FR
isocyclocitralFL/FR
 ethyl 3-hexenoateFL/FR
 fresh carbaldehydeFR
 green carbaldehydeFR
 green etherFL/FR
1-hepten-3-olFL/FR
(Z)-3-hexen-1-yl octanoateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 hyacinth etherFR
 methyl benzyl disulfideFL
 methyl propyl trisulfideFL
 octane nitrileFR
 octyl isobutyrateFL/FR
4-isopropyl quinolineFL/FR
isopropyl quinolineFR
 tetrahydrocitralFL/FR
potential uses :
 citrus
 cheese ghee cheese
natural occurrence in :    note
PbMdham  
 orange juice  

information only - not sold by The Good Scents Company.


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 02/14/2010