(Z)-3-hexen-1-al dimethyl acetal
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Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(Z)-1,1-dimethoxyhex-3-ene
InChI :InChI=1/C8H16O2/c1-4-5-6-7-8(9-2)10-3/h5-6,8H,4,7H2,1-3H3/b6-5-
InChIKey :AIFDKYGVVMSLMZ-WAYWQWQTBH
SMILES :CC\C=C/CC(OC)OC
cas number :55444-65-0
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 : 2.00
molecular weight : 144.2114400
formula :C8 H16 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
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 : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 156.00 to 158.00 °C. @ 760.00 mm Hg
flash point : 89.00  °F.  TCC  ( 31.67 °C. )
logP (o/w) : 2.07

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) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for (Z)-3-hexen-1-al dimethyl acetal usage levels up to :
 not for fragrance use.

safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
WISER :UN 1993
 
WGK Germany :2
 
 
 
 (Z)-1,1-dimethoxyhex-3-ene
chemidplus :055444650
EPA Substance Registry Services :55444-65-0

references :
 (Z)-1,1-dimethoxyhex-3-ene
pubchem :686067

other :
synonyms :
(Z)-1,1-dimethoxyhex-3-ene
cis-3-hexen-1-al dimethyl acetal
(Z)-3-hexenal dimethyl acetal

stability :
 alkalis

(odor and/or flavor) blends with :
 acetaldehyde benzyl 2-methoxyethyl acetal
 acetaldehyde dihexyl acetal
 acetaldehyde methyl hexyl acetal
 allyl amyl glycolate
 allyl butyrate
 allyl tiglate
 amyl 2-methyl butyrate
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde diethyl acetal
isoamyl formate
 amyl hexanoate
 amyl isobutyrate
 amyl isovalerate
isoamyl isovalerate
isoamyl octanoate
isoamyl valerate
 apple ketal
 benzyl isovalerate
 benzyl propionate
 berry pentadienoate
 buchu mercaptan
 butyl 2-methyl butyrate
 butyl heptanoate
 butyl isobutyrate
 butyl isovalerate
isobutyl isovalerate
isobutyl propionate
 cherry pentenoate
 citronellyl propionate
 cognac heptanone
para-cresyl isobutyrate
beta-cyclocitral
 cyclohexyl butyrate
 cyclohexyl isovalerate
2-cyclopentyl cyclopentanone
alpha-damascone
gamma-damascone
alpha-decalactone
3-decen-2-one
9-decenoic acid
 diethyl 1-malate
 diethyl malonate
 dimethyl succinate
6,8-dimethyl-2-nonanol
(E,E)-2,4-dodecadien-1-ol
 ethyl (E)-2-hexenoate
 ethyl (E)-2-octenoate
 ethyl (E)-4-decenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-octenoate
 ethyl 3-acetoxyhexanoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetoacetate
 ethyl decanoate
 ethyl isovalerate
 ethyl methyl-para-tolyl glycidate
 ethyl valerate
2-ethyl-4-butanol
 fruity ketal
 furfuryl propionate
(E)-geranyl acetone
 geranyl isovalerate
 geranyl methyl ethyl acetate
 green dioxolane
(E,E)-2,4-heptadien-1-ol
 heptanal cyclic ethylene acetal
2-heptanol
 heptyl 2-methyl butyrate
 heptyl isobutyrate
 hexanal propylene glycol acetal
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
(Z)-3-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
(E)-2-hexen-1-al dimethyl acetal
2-hexen-1-ol
(Z)-3-hexen-1-yl (E)-2-hexenoate
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(E)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl acetate
2-hexen-1-yl acetate
(E)-2-hexen-1-yl butyrate
(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-hexen-1-yl isovalerate
(E)-2-hexen-1-yl propionate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
1-hexen-3-yl acetate
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl 2-methyl butyrate
 hexyl acetate
 hexyl butyrate
 hexyl formate
 hexyl isobutyrate
 hexyl isovalerate
 hexyl octanoate
 hexyl pivalate
 hexyl propionate
 lily propanol
 linalyl hexanoate
 melon valerate
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-hexenoate
 methyl 2-undecynoate
 methyl 4-pentenoate
2-methyl butyl 2-methyl butyrate
 methyl butyrate
 methyl citronellate
(E)-methyl geranate
 methyl heptanoate
 methyl isovalerate
2-methyl valeraldehyde
 methyl valerate
3-methyl valeric acid
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
3-methyl-3-pentanol
 nerolidyl isobutyrate
 nonyl isovalerate
(E,E)-3,5-octadien-2-one
 octen-1-yl cyclopentanone
 octyl 2-methyl butyrate
 octyl butyrate
 papaya isobutyrate
(E)-2-penten-1-al
2-pentyl furan
 phenoxyethyl isobutyrate
4-phenyl-2-butyl acetate
 pineapple pentenoate
 prenol
 prenyl ethyl ether
 prenyl hexanoate
isopropyl 2-methyl butyrate
 propyl heptanoate
 propyl isovalerate
isopropyl isovalerate
alpha-isopropyl phenyl acetaldehyde
 rhubarb undecane
 sorbyl isobutyrate
 tagete oil india
 tetrahydrofurfuryl butyrate
 thiogeraniol
 tiglaldehyde
 timber dioxolane
 tricyclodecyl acetate
 tropical indene
 tropical thiazole
 violet dienyne
 woody acetate

(odor and/or flavor) used in :
 apple
 fruit

natural occurrence in :
not found in nature



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