2,4-octadien-1-ol
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IUPAC name :(2E,4E)-octa-2,4-dien-1-ol
InChI :InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h4-7,9H,2-3,8H2,1H3/b5-4+,7-6+
InChIKey :LMBAOEUOOJDUBP-YTXTXJHMBM
SMILES :CCC\C=C\C=C\CO
cas number :18409-20-6
% from :90.00% to 99.90%
(EINECS) number :242-290-3
fema number :3956
jecfa number :1180
molar refractivity :40.76 ± 0.3 cm3
parachor :341.5 ± 4.0 cm3
index of refraction :1.472 ± 0.02
surface tension :30.5 ± 3.0 dyne/cm
density :0.868 ± 0.06 g/cm3
polarizability :16.15 ± 0.5 10-24cm3
XlogP : 2.40
molecular weight : 126.1961600
formula :C8 H14 O
NMR Predictor :Predict
 

 
IUPAC name :(2E,4Z)-octa-2,4-dien-1-ol
InChI :InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h4-7,9H,2-3,8H2,1H3/b5-4-,7-6+
InChIKey :LMBAOEUOOJDUBP-SCFJQAPRBG
SMILES :CCC\C=C/C=C/CO
cas number :18409-20-6  (EZ)
% from :0.10% to 9.00%
molar refractivity :40.76 ± 0.3 cm3
parachor :341.5 ± 4.0 cm3
index of refraction :1.472 ± 0.02
surface tension :30.5 ± 3.0 dyne/cm
density :0.868 ± 0.06 g/cm3
polarizability :16.15 ± 0.5 10-24cm3
XlogP : 2.40
molecular weight : 126.1961600
formula :C8 H14 O
NMR Predictor :Predict
 

 
export tariff code :2905.29.9000
fda reg :unspecified

Suppliers :
Penta :trans-2,trans-4-octadienol

organoleptics :
odor type :fatty
odor strength :medium
odor description :
at 100.00 %.  
mild fatty chicken fat creamy waxy

properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.86400 to 0.87400 @ 25.00 °C.
pounds per gallon - calc. : 7.189 to 7.273
refractive index :1.48600 to 1.49600 @ 20.00 °C.
boiling point : 75.00 °C. @ 0.50 mm Hg
boiling point : 198.00 to 199.00 °C. @ 760.00 mm Hg
flash point : 185.00  °F.  TCC  ( 85.00 °C. )
logP (o/w) : 2.30

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
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-ol usage levels up to :
 not for fragrance use.
recommendation for 2,4-octadien-1-ol usage levels up to :
  5.0000 ppm in the flavor.

safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 (2E,4E)-octa-2,4-dien-1-ol
(EINECS) number :242-290-3
chemidplus :018409206
EPA Substance Registry Services :18409-20-6
 (2E,4Z)-octa-2,4-dien-1-ol

references :
 (2E,4E)-octa-2,4-dien-1-ol
jecfa number :1180
pubchem :664457
 (2E,4Z)-octa-2,4-dien-1-ol

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(2E,4E)-octa-2,4-dien-1-ol
(2E,4E)-octa-2,4-dienol
(E,E)-2,4-octadien-1-ol
(E)-2,(E)-4-octadien-1-ol
trans-2,trans-4-octadien-1-ol
trans,trans-2,4-octadien-1-ol
(E,E)-2,4-octadienol
trans,trans-2,4-octadienol

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetyl butyryl
 acetyl isobutyryl
 acetyl nonyryl
 allyl cyclohexyl propionate
 allyl octanoate
alpha-amyl cinnamaldehyde / methyl anthranilate schiff's base
isoamyl laurate
6-amyl-alpha-pyrone
 benzyl laurate
 dairy lactone
2,4-decadien-1-ol
 decanal / methyl anthranilate schiff's base
(E)-2-decen-1-al
(E)-2-decen-1-ol
(Z)-5-decen-1-ol
(E)-2-decen-1-yl acetate
 dodecanal
 dodecanol
delta-2-dodecenolactone
 ethyl (E)-2-octenoate
 ethyl hexanoate
 ethyl undecanoate
 ethyl undecylenate
(Z)-4-hepten-1-al diethyl acetal
 jasmin absolute pommade
 methyl 10-undecenal
 methyl myristate
4-methyl octanoic acid
 methyl undecanoate
 myristic acid
2,4-nonadien-1-ol
(Z)-2-nonen-1-al
(E)-2-octenoic acid
 palmitic acid
 tetradecanal
delta-undecalactone
gamma-undecalactone

(odor and/or flavor) used in :
 avocado
 beef
 cheese
 chicken
 fat
 melon
 nut filbert
 nut peanut
 olive

natural occurrence in :
data pagechampaca concrete @ trace%



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