(E,E)-2,4-hexadien-1-al
Suppliers  organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
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 (IUPAC)
formula :C6 H8 O
BioActivity Analysis :17389387
pherobase floral:view
NMR Predictor :Predict
 
 
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 (IUPAC)
formula :C6 H8 O
NMR Predictor :Predict
 
 
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
Flavor:  sweet green
Can be used sparingly in pear, cherry, apple, orange, pineapple and tropical flavors.
Fontarome :T2 T4-HEXADIENAL
Odor:  Very diffusive green odor, slightly pungent and fatty
Godavari :Sorbaldehyde
Penta :2,4-hexadienal
SAFC Global® :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
odor description:
Green, fruity, aldehydic, citrus and waxy
Mosciano, Gerard P&F 18, No. 3, 53, (1993)
taste description:
at 25.00 ppm.  		Sweet, green, waxy, aldehydic with fresh melon nuances
Mosciano, Gerard P&F 18, No. 3, 53, (1993)
properties :
appearence :yellow clear liquid
assay : 97.00 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 :
Category :cosmetic and flavor agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.97 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.10 (μg/capita/day)
Structure Class :I
 
recommendation for (E,E)-2,4-hexadien-1-al fragrance usage levels up to :
 not for fragrance use.
recommendation for (E,E)-2,4-hexadien-1-al flavor usage levels up to :
  25.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
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 cas# 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
Flavornet :80466-34-8
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
(2E,4E)-hexa-2,4-dienal
(E)-2,(E)-4-hexadien-1-al
(E,E)-2,4-hexadien-1-al
trans-2,trans-4-hexadien-1-al
trans,trans-2,4-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
potential blenders :    note
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde dihexyl acetalFL/FR
 acetaldehyde methyl hexyl acetalFR
 allyl amyl glycolateFR
 allyl butyrateFL/FR
 allyl cyclohexyl acetateFL/FR
 allyl tiglateFL
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
alpha-amyl cinnamaldehyde diethyl acetalFR
 amyl hexanoateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
 berry pentadienoateFL/FR
 boronia absoluteFL/FR
 buchu mercaptanFL/FR
 butyl 2-methyl butyrateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 citronellyl propionateFL/FR
 cognac heptanoneFL/FR
 coriander leaf oilFL/FR
para-cresyl isobutyrateFL/FR
 cumin acetaldehydeFL/FR
beta-cyclocitralFL/FR
isocyclocitralFL/FR
 cyclohexyl propionateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
gamma-damasconeFR
alpha-decalactoneFR
 decanal diethyl acetalFL/FR
3-decen-2-oneFL/FR
9-decenoic acidFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
6,8-dimethyl-2-nonanolFR
(E,E)-2,4-dodecadien-1-olFR
(Z)-4-dodecen-1-alFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl (E)-4-decenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
2-ethyl-4-butanolFL/FR
 fir carboxylateFR
 furfuryl propionateFL
1-furfuryl pyrroleFL/FR
 geranyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 geranyl isovalerateFL/FR
 grape butyrateFL/FR
 green carbaldehydeFR
 green dioxolaneFR
(E,E)-2,4-heptadien-1-olFL
 heptanal cyclic ethylene acetalFR
2-heptanolFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
 heptyl formateFL/FR
 heptyl isobutyrateFL/FR
 hexanal propylene glycol acetalFL/FR
2-hexen-1-alFL
(E)-2-hexen-1-al diethyl acetalFL
2-hexen-1-al diethyl acetalFL
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-2-hexen-1-yl acetateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
2-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL
(Z)-3-hexen-1-yl valerateFL/FR
1-hexen-3-yl acetate 
 hexyl (E)-2-hexenoateFL
 hexyl 2-butenoateFL/FR
 hexyl 2-furoateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl acetateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 hexyl phenyl acetateFL/FR
 hexyl pivalateFR
 hexyl propionateFL/FR
 hydroxycitronellalFL/FR
 hydroxycitronellal dimethyl acetalFL/FR
 jasmin cyclopentanolFR
 lily pentanalFR
 lily propanolFR
 linalyl hexanoateFL/FR
 melon nonenoateFL/FR
 melon valerateFL/FR
 methyl (E)-2-hexenoateFL
 methyl (E)-3-nonenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 2-hexenoateFL/FR
 methyl 2-undecynoateFL
 methyl 4-pentenoateFL
2-methyl butyl 2-methyl butyrateFL/FR
 methyl butyl phenyl acetateFL/FR
(E)-methyl geranateFL/FR
 methyl heptanoateFL/FR
2-methyl heptanoic acidFL/FR
 methyl octanoateFL/FR
 methyl R-3-acetoxyhexanoate 
2-methyl undecanal dimethyl acetalFR
2-methyl valeraldehydeFL
 methyl valerateFL/FR
3-methyl valeric acidFL
(E)-2-methyl-2-octen-1-alFL
2-methyl-2-octen-1-alFL
3-methyl-3-pentanolFL
 nerolidyl isobutyrateFR
 neryl butyrateFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
3,6-nonadien-1-yl acetateFL/FR
2-nonanolFL/FR
(E)-2-nonen-1-alFL/FR
(E)-2-nonen-1-olFL/FR
(Z)-3-nonen-1-olFL/FR
(Z)-6-nonen-1-olFL/FR
(E,E)-3,5-octadien-2-oneFL
 octane nitrileFR
 octanolFL/FR
(E)-2-octen-1-alFL/FR
 octen-1-yl cyclopentanoneFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl isobutyrateFL/FR
 papaya isobutyrateFL/FR
(E)-2-penten-1-alFL/FR
2-pentyl furanFL/FR
 phenethyl octanoateFL/FR
 phenoxyethyl isobutyrateFL/FR
 phenyl acetaldehyde ethylene glycol acetalFR
4-phenyl-2-butyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 rhubarb undecaneFR
 sorbyl isobutyrateFL/FR
(E)-2-tetradecen-1-alFL/FR
 tetrahydrocitralFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 thiogeraniolFL/FR
 timber dioxolaneFR
 tropical indeneFR
 tropical thiazoleFL/FR
 undecanalFL/FR
(Z)-8-undecen-1-alFR
10-undecen-1-alFL/FR
 violet dienyneFR
 woody acetateFR
potential uses :
 apple
 cherry
 citrus
 fat
 floral
 fresh
 fruit tropical fruit
 green
 kiwi
 mango
 melon watermelon muskmelon cantaloupe
 orange
 pear
 pineapple
 spice
natural occurrence in :    note
 beer  
 caviar  
 clam  
 fish  
data pageguava fruit headspace reunion @ 2.20% S
 kiwi fruit S
 mango S
 olive  
 peanut roasted peanut  

information only - not sold by The Good Scents Company.


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 03/10/2010