(E,E)-2,4-hexadien-1-al
 
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IUPAC name :(2E,4E)-hexa-2,4-dienal
InChI :InChI=1/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+
InChIKey :BATOPAZDIZEVQF-MQQKCMAXBJ
SMILES :C\C=C\C=C\C=O
cas number :142-83-6
(EINECS) number :205-564-3
beilstein number :1698401
fema number :3429
coe number :640
jecfa number :1175
fl. number :05.057
molar refractivity :30.14 ± 0.3 cm3
parachor :254.1 ± 4.0 cm3
index of refraction :1.450 ± 0.02
surface tension :26.4 ± 3.0 dyne/cm
density :0.857 ± 0.06 g/cm3
polarizability :11.95 ± 0.5 10-24cm3
XlogP : 1.50
molecular weight : 96.1271200
formula :C6 H8 O
BioActivity Analysis :17389387
 

 
IUPAC name :hexa-2,4-dienal
InChI :InChI=1/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3
InChIKey :BATOPAZDIZEVQF-UHFFFAOYAP
SMILES :CC=CC=CC=O
cas number :80466-34-8
fema number :3429
molar refractivity :30.14 ± 0.3 cm3
parachor :254.1 ± 4.0 cm3
index of refraction :1.450 ± 0.02
surface tension :26.4 ± 3.0 dyne/cm
density :0.857 ± 0.06 g/cm3
polarizability :11.95 ± 0.5 10-24cm3
XlogP : 1.50
molecular weight : 96.1271200
formula :C6 H8 O
 

 
export tariff code :2912.19.9000
fda reg :unspecified

Suppliers :
Bedoukian Research :2,4-HEXADIEN-1-AL
≥80.0% (trans,trans), Kosher
Odor:  Fatty, sweet, green aldehydic odor with a spicy finish.
Fontarome :T2 T4-HEXADIENAL
Odor:  Very diffusive green odor, slightly pungent and fatty
Penta :2,4-hexadienal
Sigma-Aldrich-SAFC :trans,trans-2,4-Hexadienal
≥95%
Odor:  green; citrus; floral

organoleptics :
odor type :green
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
sweet green spicy floral citrus

properties :
appearence :yellow clear liquid
assay : 96.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.88800 to 0.89800 @ 25.00 °C.
pounds per gallon - calc. : 7.389 to 7.472
refractive index :1.53800 to 1.54500 @ 20.00 °C.
boiling point : 69.00 °C. @ 20.00 mm Hg
boiling point : 173.00 to 174.00 °C. @ 754.00 mm Hg
acid value : 5.00  max.  KOH/g
vapor pressure :4.81000 mm/Hg @ 25.00 °C.
flash point : 130.00  °F.  TCC  ( 54.44 °C. )
logP (o/w) : 1.37

safety :
most important hazard(s) :T - Toxic.
  R 10 - Flammable.
R 22 - Harmful if swallowed.
R 24 - Toxic in contact with skin.
R 36/38 - Irritating to skin and eyes.
R 43 - May cause sensitisation by skin contact.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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    300.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  270.00  ul/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for (E,E)-2,4-hexadien-1-al usage levels up to :
 not for fragrance use.
recommendation for (E,E)-2,4-hexadien-1-al usage levels up to :
  25.0000 ppm in the flavor.

safety references :
EPI System :view
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Env. Mutagen Info. Center :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 2922
 
WGK Germany :3
 
 
 
 (2E,4E)-hexa-2,4-dienal
(EINECS) number :205-564-3
RTECS :WG1925000 for 142-83-6
chemidplus :000142836
EPA Substance Registry Services :142-83-6
 
 
 hexa-2,4-dienal
chemidplus :080466348
EPA Substance Registry Services :80466-34-8
dtp/nci :16184

references :
 (2E,4E)-hexa-2,4-dienal
fl. number :05.057
jecfa number :1175
NIST Chemistry WebBook :1539428999
pubchem :152053
 hexa-2,4-dienal
NIST Chemistry WebBook :2534079794
pubchem :199561

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(2E,4E)-hexa-2,4-dienal
(E)-2,(E)-4-hexadien-1-al
trans,trans-2,4-hexadien-1-al
trans-2,trans-4-hexadien-1-al
(E,E)-2,4-hexadienal
trans,trans-2,4-hexadienal
2,4-hexadienal (89% trans,trans;11% cis,trans)
1,3-pentadiene-1-carboxaldehyde
2-propylene acrolein
3-propylene acrolein
 sorbaldehyde
 sorbic aldehyde

soluble in :
 alcohol
 water, 8140 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde benzyl 2-methoxyethyl acetal
 acetaldehyde dihexyl acetal
 acetaldehyde methyl hexyl acetal
 allyl amyl glycolate
 allyl butyrate
 allyl cyclohexyl acetate
 allyl tiglate
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde diethyl acetal
 amyl hexanoate
isoamyl isovalerate
isoamyl octanoate
 berry pentadienoate
 boronia absolute
 buchu mercaptan
 butyl 2-methyl butyrate
 butyl isobutyrate
isobutyl propionate
 cherry pentenoate
 citronellyl propionate
 cognac heptanone
 coriander leaf oil
para-cresyl isobutyrate
 cumin acetaldehyde
beta-cyclocitral
isocyclocitral
 cyclohexyl propionate
2-cyclopentyl cyclopentanone
gamma-damascone
alpha-decalactone
 decanal diethyl acetal
3-decen-2-one
9-decenoic acid
 diethyl malonate
 dimethyl succinate
6,8-dimethyl-2-nonanol
(E,E)-2,4-dodecadien-1-ol
(Z)-4-dodecen-1-al
 ethyl (E,Z)-2,4-decadienoate
 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 methyl-para-tolyl glycidate
2-ethyl-4-butanol
 fir carboxylate
 furfuryl propionate
1-furfuryl pyrrole
 geranyl acetate
(E)-geranyl acetone
 geranyl isovalerate
 grape butyrate
 green carbaldehyde
 green dioxolane
(E,E)-2,4-heptadien-1-ol
 heptanal cyclic ethylene acetal
2-heptanol
3-heptyl dihydro-5-methyl-2(3H)-furanone
 heptyl formate
 heptyl isobutyrate
 hexanal propylene glycol acetal
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
2-hexen-1-al diethyl 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 formate
(Z)-3-hexen-1-yl formate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(E)-2-hexen-1-yl isovalerate
(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-furoate
 hexyl 2-methyl butyrate
 hexyl acetate
 hexyl butyrate
 hexyl isobutyrate
 hexyl isovalerate
 hexyl octanoate
 hexyl phenyl acetate
 hexyl pivalate
 hexyl propionate
 hydroxycitronellal
 hydroxycitronellal dimethyl acetal
 jasmin cyclopentanol
 lily pentanal
 lily propanol
 linalyl hexanoate
 melon nonenoate
 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 butyl phenyl acetate
(E)-methyl geranate
 methyl heptanoate
2-methyl heptanoic acid
 methyl octanoate
 methyl R-3-acetoxyhexanoate
2-methyl undecanal dimethyl acetal
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
 neryl butyrate
(E,Z)-3,6-nonadien-1-yl acetate
3,6-nonadien-1-yl acetate
2-nonanol
(E)-2-nonen-1-al
(E)-2-nonen-1-ol
(Z)-3-nonen-1-ol
(Z)-6-nonen-1-ol
(E,E)-3,5-octadien-2-one
 octane nitrile
 octanol
(E)-2-octen-1-al
 octen-1-yl cyclopentanone
 octyl 2-methyl butyrate
 octyl isobutyrate
 papaya isobutyrate
(E)-2-penten-1-al
2-pentyl furan
 phenethyl octanoate
 phenoxyethyl isobutyrate
 phenyl acetaldehyde ethylene glycol acetal
4-phenyl-2-butyl acetate
 pineapple pentenoate
 prenol
 prenyl hexanoate
isopropyl 2-methyl butyrate
alpha-isopropyl phenyl acetaldehyde
 rhubarb undecane
 sorbyl isobutyrate
(E)-2-tetradecen-1-al
 tetrahydrocitral
 tetrahydrofurfuryl butyrate
 thiogeraniol
 timber dioxolane
 tropical indene
 tropical thiazole
 undecanal
(Z)-8-undecen-1-al
10-undecen-1-al
 violet dienyne
 woody acetate

(odor and/or flavor) used in :
 apple
 cherry
 citrus
 fat
 floral
 fresh
 fruit tropical fruit
 green
 kiwi
 mango
 melon watermelon muskmelon cantaloupe
 orange
 pear
 pineapple
 spice

natural occurrence in :
beer
caviar
clam
fish
data pageguava fruit headspace reunion @ 2.20%
kiwi fruit
mango
olive
peanut roasted peanut



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