(E,E)-2,4-heptadien-1-ol
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IUPAC name :(2E,4E)-hepta-2,4-dien-1-ol
InChI :InChI=1/C7H12O/c1-2-3-4-5-6-7-8/h3-6,8H,2,7H2,1H3/b4-3+,6-5+
InChIKey :MDRZSADXFOPYOC-VNKDHWASBN
SMILES :CC\C=C\C=C\CO
cas number :33467-79-7
% from :92.00% to 99.90%
(EINECS) number :251-535-3
beilstein number :2070121
fema number :4127
jecfa number :1784
fl. number :02.153
molar refractivity :36.12 ± 0.3 cm3
parachor :301.7 ± 4.0 cm3
index of refraction :1.472 ± 0.02
surface tension :30.1 ± 3.0 dyne/cm
density :0.870 ± 0.06 g/cm3
polarizability :14.32 ± 0.5 10-24cm3
XlogP : 1.80
molecular weight : 112.1695800 (IUPAC)
formula :C7 H12 O
pherobase floral:view
NMR Predictor :Predict
 
 
IUPAC name :(E,Z)-hepta-2,4-dien-1-ol
InChI :InChI=1/C7H12O/c1-2-3-4-5-6-7-8/h3-6,8H,2,7H2,1H3/b4-3-,6-5+
InChIKey :MDRZSADXFOPYOC-DNVGVPOPBL
SMILES :CC\C=C/C=C/CO
cas number :33467-79-7  (EZ)
% from :0.10% to 8.00%
molar refractivity :36.12 ± 0.3 cm3
parachor :301.7 ± 4.0 cm3
index of refraction :1.472 ± 0.02
surface tension :30.1 ± 3.0 dyne/cm
density :0.870 ± 0.06 g/cm3
polarizability :14.32 ± 0.5 10-24cm3
XlogP : 1.80
molecular weight : 112.1695800 (IUPAC)
formula :C7 H12 O
NMR Predictor :Predict
 
 
IUPAC name :hepta-2,4-dien-1-ol
InChI :InChI=1/C7H12O/c1-2-3-4-5-6-7-8/h3-6,8H,2,7H2,1H3
InChIKey :MDRZSADXFOPYOC-UHFFFAOYAM
SMILES :CCC=CC=CCO
cas number :62488-55-5
beilstein number :2070121
molar refractivity :36.12 ± 0.3 cm3
parachor :301.7 ± 4.0 cm3
index of refraction :1.472 ± 0.02
surface tension :30.1 ± 3.0 dyne/cm
density :0.870 ± 0.06 g/cm3
polarizability :14.32 ± 0.5 10-24cm3
XlogP : 1.80
molecular weight : 112.1695800 (IUPAC)
formula :C7 H12 O
NMR Predictor :Predict
 
 
export tariff code :2905.29.9000
fda reg :unspecified
Suppliers :
Penta :2,4-heptadien-1-ol
Sigma-Aldrich-Fluka :2,4-Heptadien-1-ol
purum, ≥98.0% (sum of isomers, GC)
If you get a cover box over Sigma-aldrich web page, click here to set your country of origin.
organoleptics :
odor type :fatty
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in dipropylene glycol.  		green fruity nutty cheese
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.87700 to 0.88100 @ 25.00 °C.
pounds per gallon - calc. : 7.298 to 7.331
refractive index :1.48700 to 1.49300 @ 20.00 °C.
boiling point : 68.00 °C. @ 0.50 mm Hg
boiling point : 80.00 °C. @ 14.00 mm Hg
vapor pressure :0.11200 mm/Hg @ 25.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 175.00  °F.  TCC  ( 79.44 °C. )
logP (o/w) : 1.77
safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
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.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.061 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.01 (μg/capita/day)
Structure Class :I
 
recommendation for (E,E)-2,4-heptadien-1-ol fragrance usage levels up to :
 not for fragrance use.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 22
 average usual ppmaverage maximum ppm
baked goods : 10.0000050.00000
beverages(nonalcoholic) : 5.0000025.00000
beverages(alcoholic) : --
breakfast cereal : 5.0000025.00000
cheese : 7.0000035.00000
chewing gum : --
condiments / relishes : 5.0000025.00000
confectionery froastings : 10.0000050.00000
egg products : --
fats / oils : 5.0000025.00000
fish products : 2.0000010.00000
frozen dairy : 7.0000035.00000
fruit ices : 10.0000050.00000
gelatins / puddings : 5.0000025.00000
granulated sugar : --
gravies : 20.00000100.00000
hard candy : --
imitation dairy : 7.0000035.00000
instant coffee / tea : --
jams / jellies : 5.0000025.00000
meat products : 2.0000010.00000
milk products : 7.0000035.00000
nut products : --
other grains : 5.0000025.00000
poultry : 2.0000010.00000
processed fruits : 7.0000035.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 5.0000025.00000
snack foods : 10.0000050.00000
soft candy : --
soups : 5.0000025.00000
sugar substitutes : --
sweet sauces : 5.0000025.00000
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
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
(2E,4E)-hepta-2,4-dien-1-ol
(EINECS) number :251-535-3
chemidplus :033467797
EPA Substance Registry Services :33467-79-7
 
(E,Z)-hepta-2,4-dien-1-ol
 
 
 
hepta-2,4-dien-1-ol
chemidplus :62488-55-5
EPA Substance Registry Services :62488-55-5
references :
 
(2E,4E)-hepta-2,4-dien-1-ol
fl. number :02.153
jecfa number :1784
NIST Chemistry WebBook :3175199796
pubchem :695171
 
(E,Z)-hepta-2,4-dien-1-ol
 
hepta-2,4-dien-1-ol
pubchem :29299551
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
(2E,4E)-hepta-2,4-dien-1-ol
(E,E)-hepta-2,4-dien-1-ol
(2E,4E)-2,4-heptadien-1-ol
(E)-2,(E)-4-heptadien-1-ol
trans-2-trans-4-heptadien-1-ol
trans,trans-2,4-heptadien-1-ol
(2E,4E)-heptadienol
(E,E)-2,4-heptadienol
trans,trans-2,4-heptadienol
soluble in :
 alcohol
 water, slightly
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 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
para-cresyl isobutyrateFL/FR
beta-cyclocitralFL/FR
2-cyclopentyl cyclopentanoneFL/FR
gamma-damasconeFR
alpha-decalactoneFR
3-decen-2-oneFL/FR
9-decenoic acidFL/FR
 decyl propionateFL/FR
 diethyl malonateFL/FR
 dihydroxyacetophenoneFL
 dimethyl succinateFL/FR
6,8-dimethyl-2-nonanolFR
(E,E)-2,4-dodecadien-1-olFR
 dodecanal dimethyl acetalFL/FR
 epoxy-2-decenalFL
 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 hexanoateFL
 furfuryl propionateFL
(E)-geranyl acetoneFL/FR
 geranyl isovalerateFL/FR
 green dioxolaneFR
 guaiyl acetateFL/FR
 heptanal cyclic ethylene acetalFR
 heptanal cyclic propylene acetalFL/FR
2-heptanolFL/FR
3-heptanoneFL/FR
2-hepten-1-alFL/FR
(E)-2-hepten-1-yl acetateFL/FR
2-heptyl furanFL
 heptyl isobutyrateFL/FR
2,4-hexadien-1-olFL
 hexanalFL/FR
 hexanal propylene glycol acetalFL/FR
3,4-hexane dioneFL/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
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/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 acetateFL/FR
 hexyl butyrateFL/FR
alpha-hexyl cinnamaldehyde dimethyl acetal 
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 hexyl pivalateFR
 hexyl propionateFL/FR
 lily propanolFR
 linalyl hexanoateFL/FR
 marigold oil mexico 
 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
(E)-methyl geranateFL/FR
 methyl heptanoateFL/FR
 methyl R-3-acetoxyhexanoate 
2-methyl valeraldehydeFL
 methyl valerateFL/FR
3-methyl valeric acidFL
3-methyl-2-cyclopenten-1-oneFL
3-(5-methyl-2-furyl) butanalFL
(E)-2-methyl-2-octen-1-alFL
2-methyl-2-octen-1-alFL
2-methyl-3-(methyl thio) pyrazineFL/FR
3-methyl-3-pentanolFL
 nerolidyl isobutyrateFR
(E,Z)-2,6-nonadien-1-alFL/FR
(E,E)-2,4-octadien-1-alFL
(E,E)-3,5-octadien-2-oneFL
(E)-2-octen-1-yl acetateFL/FR
 octen-1-yl cyclopentanoneFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl heptanoateFL/FR
 papaya isobutyrateFL/FR
(E)-2-penten-1-alFL/FR
2-pentyl furanFL/FR
 petal pyranoneFL/FR
 phenoxyethyl isobutyrateFL/FR
4-phenyl-2-butyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 propylene acetalFL/FR
 rhubarb undecaneFR
 sorbyl isobutyrateFL/FR
 tagete oil indiaFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 thiogeraniolFL/FR
 tiglaldehydeFL/FR
 timber dioxolaneFR
 tricyclodecyl acetateFR
 tropical indeneFR
 tropical thiazoleFL/FR
 undecanalFL/FR
 valeraldehyde diethyl acetalFL
isovaleraldehyde diethyl acetalFL/FR
 violet dienyneFR
 woody acetateFR
potential uses :
 cheese
 nut almond
natural occurrence in :    note
 sauromatum guttatum S

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