2,4-octadien-1-al
 
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IUPAC name :octa-2,4-dienal
InChI :InChI=1/C8H12O/c1-2-3-4-5-6-7-8-9/h4-8H,2-3H2,1H3
InChIKey :DVVATNQISMINCX-UHFFFAOYAW
SMILES :CCCC=CC=CC=O
cas number :5577-44-6
coe number :11805
fl. number :05.186
molar refractivity :39.41 ± 0.3 cm3
parachor :333.7 ± 4.0 cm3
index of refraction :1.455 ± 0.02
surface tension :27.9 ± 3.0 dyne/cm
density :0.855 ± 0.06 g/cm3
polarizability :15.62 ± 0.5 10-24cm3
xlogp : 2.50
molecular weight : 124.1802800
formula :C8 H12 O
 
 
export tariff code :2912.19.9000
fda reg :unspecified

Suppliers :
Bedoukian Research :2,4-OCTADIEN-1-AL
≥90.0% (trans,trans), Kosher
Odor:  A fatty, fruity, green, citrus odor with peely notes.
Sigma-Aldrich-SAFC :2,4-Octadienal
≥96%, Kosher, Predominantly trans, trans
Odor:  green; vegetable; fatty

organoleptics :
odor type :green
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
fatty reminiscent of pear vegetable green

properties :
appearence :yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87500 @ 25.00 °C.
boiling point : 88.00 °C. @ 10.00 mm Hg
acid value : 5.00  max.  KOH/g
flash point : 174.00  °F.  TCC  ( 78.89 °C. )
logp : 2.12

safety :
most important hazard(s) :Xi - Irritant
  R 38 - Irritating to 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 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for 2,4-octadien-1-al usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for 2,4-octadien-1-al usage levels up to :
  10.0000 ppm in the flavor.

safety references :
EPI System :view
 
WGK Germany :3
 
 
 
 octa-2,4-dienal
chemidplus :005577446
EPA Substance Registry Services :5577-44-6

references :
 octa-2,4-dienal
fl. number :05.186
NIST Chemistry WebBook :2805356964
pubchem :43119079

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 octa-2,4-dienal
2,4-octadienal

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde methyl hexyl acetal
 acetone
 acetyl butyryl
 allyl cyclohexyl hexanoate
isoamyl butyrate
 amyl hexanoate
 apple crotonate
 benzyl octanoate
 butyl isovalerate
isobutyl undecylenate
(E)-carveol
laevo-carveol
laevo-carvone
(Z)-carvone-5,6-oxide
 carvyl acetate
 coconut absolute
2,4-decadien-1-al
3-decen-2-one
9-decenoic acid
 decyl propionate
 dihydrocarveol
dextro-dihydrocarvone
 dihydroxyacetophenone
 dill seed oil
 dodecanal
 dodecanal dimethyl acetal
 epoxy-2-decenal
 ethyl (E,Z)-2,4-decadienoate
 ethyl (E)-2-decenoate
 ethyl (E)-4-octenoate
 ethyl (Z)-3-hexenoate
 ethyl 2-cyclohexyl propionate
 ethyl cyclohexane propionate
 ethyl hexanoate
 ethyl octanoate
 fresh carbaldehyde
 furfuryl hexanoate
 guaiyl acetate
(E,E)-2,4-heptadien-1-al
 heptanal cyclic propylene acetal
3-heptanone
(Z)-4-hepten-1-al
2-hepten-1-al
(E)-2-hepten-1-yl acetate
 heptyl acetate
2-heptyl furan
 hexanal
 hexanal butane-2,3-diol acetal
 hexanal diethyl acetal
 hexanal octane-1,3-diol acetal
(Z)-3-hexen-1-yl (Z)-3-hexenoate
(E)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl acetate
2-hexen-1-yl cyclopentanyl acetate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(E)-2-hexen-1-yl isovalerate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl propionate
(Z)-3-hexen-1-yl valerate
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl 2-furoate
alpha-hexyl cinnamaldehyde dimethyl acetal
 hexyl isobutyrate
 hexyl propionate
 linalyl hexanoate
 melon carboxaldehyde
 melon nonenoate
 melon octenoate
 melon valerate
(Z+E)-para-1(7)8-menthadien-2-yl acetate
3-mercaptohexyl acetate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-hexenoate
 methyl 2-methyl butyrate
 methyl 2,4-decadienoate
 methyl nonanoate
 methyl octenoate
3-methyl-2-cyclopenten-1-one
3-(5-methyl-2-furyl) butanal
 mint lactone
 musk propanoate
 nerolidyl isobutyrate
(E,Z)-2,6-nonadien-1-al
2,4-nonadien-1-al
(E,Z)-3,6-nonadien-1-ol
2,4-nonadien-1-ol
(E,Z)-3,6-nonadien-1-yl acetate
3,6-nonadien-1-yl acetate
(E)-2-nonen-1-al
(Z)-3-nonen-1-ol
(Z)-6-nonen-1-yl acetate
(E)-2-octen-1-al
2-octen-1-al
(Z)-3-octen-1-ol
(E)-2-octen-1-yl acetate
 octen-1-yl cyclopentanone
(Z)-3-octen-1-yl propionate
 octyl heptanoate
 pear valerate
 petal pyranone
 propyl 2,4-decadienoate
 propyl acetate
 propyl heptanoate
isopropyl isobutyrate
 sorbyl isobutyrate
 spearmint absolute
 spearmint oil
 spearmint oil terpeneless
 tetrahydrocarvone
(E)-2-tridecen-1-yl acetate
gamma-undecalactone
 undecanal
 valeraldehyde diethyl acetal
isovaleraldehyde diethyl acetal

(odor and/or flavor) used in :
 cucumber
 fat
 melon watermelon muskmelon cantaloupe
 milk
 nut
 pear
 savory
 tangerine
 tropical

natural occurrence in :
beef grilled beef
bread wheat bread
caviar
cheese
fish
lamb
peanut
rice



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Html Last modified 05/01/2009