(Z)-3-hexenoic acid
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IUPAC name :(Z)-hex-3-enoic acid
InChI :InChI=1/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3-
InChIKey :XXHDAWYDNSXJQM-ARJAWSKDBD
SMILES :CC\C=C/CC(=O)O
cas number :1775-43-5
(EINECS) number :217-205-8
fema number :4493
molar refractivity :31.46 ± 0.3 cm3
parachor :279.8 ± 4.0 cm3
index of refraction :1.455 ± 0.02
surface tension :34.0 ± 3.0 dyne/cm
density :0.985 ± 0.06 g/cm3
polarizability :12.47 ± 0.5 10-24cm3
XlogP : 1.60
molecular weight : 114.1424000 (IUPAC)
formula :C6 H10 O2
NMR Predictor :Predict
 
 
export tariff code :2916.19.6000
fda reg :unspecified
Suppliers :
Bedoukian Research :cis-3-HEXENOIC ACID BRI (NATURAL)
≥95.0%, Kosher
Odor:  Green like grass, fruity, cheesy, musty, waxy, ripe, heavy, and slightly buttery
Flavor:  green
Use in fruity cheese like Blue Cheese/Swiss Cheese or a smaller amount in Cheddar cheese. Use in raspberry, passionfruit, grape, tea, wine, melon.
Fontarome :C3-HEXENOIC ACID
Odor:  Powerful fruity, honey
Penta :cis-3-hexenoic acid
organoleptics :
odor type :green
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 1.00 % in propylene glycol.  		green grass sweaty fruity cheesy acid
properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.96200 to 0.96800 @ 25.00 °C.
pounds per gallon - calc. : 8.005 to 8.055
refractive index :1.43700 to 1.44300 @ 20.00 °C.
boiling point : 100.00 °C. @ 4.00 mm Hg
boiling point : 209.00 to 210.00 °C. @ 760.00 mm Hg
vapor pressure :0.08300 mm/Hg @ 25.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 210.00  °F.  TCC  ( 98.89 °C. )
logP (o/w) : 1.60
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.  store under nitrogen.
safety :
most important hazard(s) :Xn - Harmful.
  R 34 - Causes burns.
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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
 
recommendation for (Z)-3-hexenoic acid 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 : 24
 average usual ppmaverage maximum ppm
baked goods : 7.0000016.00000
beverages(nonalcoholic) : 2.000004.00000
beverages(alcoholic) : 2.000004.00000
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : 4.000008.00000
fruit ices : --
gelatins / puddings : 2.000005.00000
granulated sugar : --
gravies : --
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 7.0000015.00000
soups : --
sugar substitutes : --
sweet sauces : --
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3265
 
WGK Germany :3
 
 
 
 
(Z)-hex-3-enoic acid
(EINECS) number :217-205-8
chemidplus :001775435
EPA Substance Registry Services :1775-43-5
dtp/nci :26715
references :
 
(Z)-hex-3-enoic acid
NIST Chemistry WebBook :855677474
pubchem :216733
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(Z)-hex-3-enoic acid
cis-3-hexenoic acid
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetaldehydeFL
 acetaldehyde dimethyl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
 acetic acidFL
 acetoinFL/FR
 acetyl butyrylFL/FR
 acetyl isovalerylFL
2-acetyl-2-thiazolineFL
 ammonium isovalerate 30% in pgFL
 amyl formateFL/FR
 benzaldehyde dimethyl acetalFL/FR
 benzyl lactateFL/FR
 butyl butyryl lactateFL/FR
 butyl lactateFL/FR
 butyl laevo-lactateFL/FR
 butyraldehydeFL
 butyric acidFL
isobutyric acidFL
 butyroinFL
 cinnamic acidFL/FR
 citronellal / methyl anthranilate schiff's baseFR
 citrus carbaldehydeFR
 coriander leaf oilFL/FR
 cumin seed oilFL/FR
isocyclocitralFL/FR
neocyclocitralFR
 cyclohexyl carboxylic acidFL/FR
gamma-damasconeFR
 decanal diethyl acetalFL/FR
 decanoic acidFL/FR
(Z)-7-decen-1-alFR
1,3-dimethoxybenzeneFL/FR
alpha,alpha-dimethyl anisyl acetoneFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl sulfoxideFL
2,4-dimethyl-2-pentenoic acidFL
2,4-dimethyl-3-cyclohexene-1-methanolFR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetateFL
2,3-epoxydecanalFL
2,3-epoxyheptanalFL
 ethyl (E)-crotonateFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 2-methyl-2-pentenoateFR
 ethyl 3-oxohexanoateFL
2-ethyl butyric acidFL/FR
 ethyl crotonateFL/FR
 ethyl cyclohexyl carboxylateFL
 ethyl hexanoateFL/FR
 ethyl lactateFL/FR
 ethyl levulinateFL/FR
 ethyl pyruvateFL/FR
2-ethyl-2-heptenalFL
 filbert hexenoneFL/FR
 formic acidFL
 geranic acidFL/FR
(E,E)-2,4-heptadien-1-alFL/FR
(E,E)-2,4-heptadien-1-olFL
delta-heptalactoneFL/FR
2,3-heptane dioneFL/FR
 heptanoic acidFL/FR
3-heptanoneFL/FR
4-heptanoneFL/FR
(E)-2-hepten-1-alFL
(Z)-4-hepten-1-alFL/FR
(E)-2-hepten-1-olFL/FR
(Z)-4-hepten-1-olFL/FR
(E)-2-heptenoic acidFL
 heptyl hexanoateFL/FR
 hexanalFL/FR
 hexanal diethyl acetalFL/FR
 hexanoic acidFL/FR
(E)-2-hexen-1-alFL/FR
(E)-3-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
4-hexen-3-oneFL
(E)-3-hexenoic acidFL
 hexyl isovalerateFL/FR
2,4-ivy carbaldehydeFL/FR
 lemon oilFL/FR
 levulinic acidFL
 lime oilFL/FR
 methyl 4-methyl valerateFL
2-methyl allyl butyrateFL
2-methyl butyric acidFL/FR
2-methyl heptanoic acidFL/FR
2-methyl hexanoic acidFL/FR
5-methyl hexanoic acidFL
4-methyl pentanoic acidFL
S-(methyl thio) butyrateFL
3-(methyl thio) methyl thiopheneFL
 methyl tiglateFL
2-methyl valeric acidFL/FR
3-methyl valeric acidFL
2-methyl-2-hexenoic acidFL
4-methyl-2-pentanolFL/FR
4-methyl-2-penten-1-alFL
2-methyl-2-pentenoic acidFL/FR
3-methyl-3-pentanolFL
2-methyl-4-pentenoic acidFL
 musk lactoneFR
 neryl isovalerateFL/FR
 nonanal dimethyl acetalFL/FR
 nonanoic acidFL
2-nonanolFL/FR
(E)-2-nonen-1-alFL/FR
(Z)-6-nonen-1-al dimethyl acetalFR
beta-ocimeneFL/FR
 octanal glycol acetalFR
 octanoic acidFL/FR
(Z)-3-octen-1-olFL/FR
(E)-2-octen-1-yl acetateFL/FR
1-octen-3-yl butyrateFL/FR
(E)-2-octenoic acidFL
 octyl isobutyrateFL/FR
 orange oilFL/FR
 orange oil bitterFL/FR
2-penten-1-alFL/FR
1-penten-3-olFL/FR
(E)-2-pentenoic acidFL
4-pentenoic acidFL
4-pentenyl isothiocyanateFL
 phenoxyacetic acidFL
 phenyl pyruvic acidFL/FR
 pineapple pentenoateFL/FR
isopropenyl acetateFL/FR
isopropyl butyrateFL/FR
 propyl isovalerateFL/FR
isopropyl mercaptanFL
 propyl propionateFL/FR
2-isopropyl-3-(methyl thio) pyrazineFL
 pyruvaldehydeFL
 pyruvic acidFL
 rue oilFL/FR
 rum etherFL/FR
 sodium 4-methyl-2-oxovalerateFL
 sorbyl butyrateFL/FR
 terpinyl butyrateFL/FR
 tetrahydrocitralFL/FR
 tridecanalFL/FR
 trimethyl cyclohexeneFR
3,5,5-trimethyl hexanolFL/FR
(E,E)-2,4-undecadien-1-alFL
 undecanoic acidFL/FR
isovaleraldehydeFL
 valerian absoluteFL/FR
 valeric acidFL/FR
isovaleric acidFL
 valerophenone 
 vanillic acidFL/FR
 violet decenolFR
potential uses :
 cheese blue cheese
 cheese cheddar cheese
 cheese swiss cheese
 grape
 melon
 passion fruit
 raspberry
 tea
 wine
natural occurrence in :    note
 banana  
 beer  
 choke cherry black choke cherry  
 cocoa S
 grape  
 kiwi fruit S
 passion fruit yellow passion fruit  
 raspberry  
 tea  
 wine white wine  

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