(E)-2-hexen-1-al dimethyl acetal
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IUPAC name :(E)-1,1-dimethoxyhex-2-ene
InChI :InChI=1/C8H16O2/c1-4-5-6-7-8(9-2)10-3/h6-8H,4-5H2,1-3H3/b7-6+
InChIKey :OSVRJMZINDGZFB-VOTSOKGWBV
SMILES :CCC\C=C\C(OC)OC
cas number :18318-83-7
(EINECS) number :242-204-4
beilstein number :4242579
fema number :4098
jecfa number :1728
fl. number :06.072
molar refractivity :42.61 ± 0.3 cm3
parachor :374.3 ± 4.0 cm3
index of refraction :1.423 ± 0.02
surface tension :25.0 ± 3.0 dyne/cm
density :0.861 ± 0.06 g/cm3
polarizability :16.89 ± 0.5 10-24cm3
XlogP : 2.20
molecular weight : 144.2114400
formula :C8 H16 O2
NMR Predictor :Predict
 
 
export tariff code :2911.00.5000
fda reg :unspecified
Suppliers :
Nanjing :trans-2-Hexenal dimethyl acetal
Penta :trans-2-hexenal dimethyl acetal
organoleptics :
odor type :fruity
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  		fruity apple
properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.86100 to 0.87100 @ 25.00 °C.
pounds per gallon - calc. : 7.164 to 7.248
refractive index :1.41500 to 1.42500 @ 20.00 °C.
boiling point : 70.00 °C. @ 15.00 mm Hg
flash point : 135.00  °F.  TCC  ( 57.22 °C. )
logP (o/w) : 2.24
safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
R 43 - May cause sensitisation by skin contact.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) :
  Oral-Rat    1700.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  5000.00  mg/kg

Skin-Guineapig  >5000.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
IFRA critical Effect :Sensitization
recommendation for (E)-2-hexen-1-al dimethyl acetal usage levels up to :
 PROHIBITED : Should not be used as a fragrance ingredient.
 
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 : 22
 average usual ppmaverage maximum ppm
baked goods : 10.0000050.00000
beverages(nonalcoholic) : 5.0000025.00000
beverages(alcoholic) : --
breakfast cereal : 5.0000025.00000
cheese : 7.0000035.00000
chewing gum : --
condiments / relishes : 5.0000025.00000
confectionery froastings : 10.0000050.00000
egg products : --
fats / oils : 5.0000025.00000
fish products : 2.0000010.00000
frozen dairy : 7.0000035.00000
fruit ices : 10.0000050.00000
gelatins / puddings : 5.0000025.00000
granulated sugar : --
gravies : 20.00000100.00000
hard candy : --
imitation dairy : 7.0000035.00000
instant coffee / tea : --
jams / jellies : 5.0000025.00000
meat products : 2.0000010.00000
milk products : 7.0000035.00000
nut products : --
other grains : 5.0000025.00000
poultry : 2.0000010.00000
processed fruits : 7.0000035.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 5.0000025.00000
snack foods : 10.0000050.00000
soft candy : --
soups : 5.0000025.00000
sugar substitutes : --
sweet sauces : 5.0000025.00000
safety references :
EPI System :view
IFRA :IFRA - ( Found under : trans-2-Hexenal dimethyl acetal )
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
WISER :UN 1993
 
WGK Germany :2
 
 
 
 (E)-1,1-dimethoxyhex-2-ene
(EINECS) number :242-204-4
chemidplus :018318837
EPA Substance Registry Services :18318-83-7
references :
 (E)-1,1-dimethoxyhex-2-ene
fl. number :06.072
jecfa number :1728
pubchem :664409
Cosmetics :
Cosmetic uses : not used anymore
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
1,1-dimethoxy-(E)-2-hexene
1,1-dimethoxy-trans-2-hexene
(E)-1,1-dimethoxyhex-2-ene
trans-1,1-dimethoxyhex-2-ene
1,1-dimethoxyhex-2(E)-ene
trans-2-hexen-1-al dimethyl acetal
(E)-2-hexenal dimethyl acetal
trans-2-hexenal dimethyl acetal
soluble in :
 alcohol
insoluble in :
 water
stability :
 alkalis
(odor and/or flavor) blends with :
 allyl heptanoate
 allyl propionate
 amyl 2-methyl butyrate
 amyl isobutyrate
 amyl isovalerate
isoamyl valerate
 apple ketal
 apple notes
 benzyl isovalerate
 benzyl propionate
 butyl heptanoate
 butyl isovalerate
isobutyl isovalerate
 cyclohexyl butyrate
 cyclohexyl isovalerate
(E)-alpha-damascone
(Z)-alpha-damascone
alpha-damascone
gamma-damascone
3-decen-2-one
 diethyl 1-malate
 ethyl (E,Z)-2,4-decadienoate
 ethyl 2-methyl butyrate
 ethyl 3-methyl valerate
 ethyl decanoate
 ethyl isovalerate
 ethyl methyl mercaptopropionate
 ethyl valerate
 fruity ketal
 galbanum ketone
 geranyl isovalerate
 geranyl methyl ethyl acetate
 heptyl 2-methyl butyrate
 hexanal diethyl acetal
(Z)-3-hexen-1-al diethyl acetal
(Z)-3-hexen-1-al dimethyl acetal
(Z)-3-hexen-1-yl 2-methyl butyrate
3-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl butyrate
(Z)-3-hexen-1-yl isobutyrate
(E)-2-hexen-1-yl propionate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
 hexyl 2-methyl butyrate
 hexyl butyrate
 hexyl formate
 hexyl isobutyrate
 marine formate
 methyl butyrate
 methyl citronellate
 methyl isovalerate
 methyl valerate
 nonyl isovalerate
(E)-2-penten-1-al
 pineapple heptadienone 10%
isopropyl isobutyrate
 propyl isovalerate
isopropyl isovalerate
 propyl tiglate
(odor and/or flavor) used in :
 apple
 fruit
natural occurrence in :
found in nature



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