(E)-2-hexenoic acid
Suppliers  organoleptics  properties  safety  references    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 :(E)-hex-2-enoic acid
InChI :InChI=1/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+
InChIKey :NIONDZDPPYHYKY-SNAWJCMRBF
SMILES :CCC\C=C\C(=O)O
cas number :13419-69-7
(EINECS) number :236-528-5
beilstein number :1720443
fema number :3169
coe number :11777
jecfa number :1361
fl. number :08.054
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 : 1.80
molecular weight : 114.1424000 (IUPAC)
formula :C6 H10 O2
NMR Predictor :Predict
 
 
IUPAC name :hex-2-enoic acid
InChI :InChI=1/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKey :NIONDZDPPYHYKY-SNAWJCMRBF
SMILES :CCCC=CC(=O)O
cas number :1191-04-4
(EINECS) number :214-727-8
fema number :3169
coe number :11777
fl. number :08.119
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 : 1.80
molecular weight : 114.1424000 (IUPAC)
formula :C6 H10 O2
NMR Predictor :Predict
 
 
export tariff code :2916.19.6000
fda reg :unspecified
Suppliers :
Advanced Biotech :trans-2-hexenoic acid
98% min. natural
Apple :trans-2-Hexenoic acid
Bedoukian Research :trans-2-HEXENOIC ACID (NATURAL)
Bedoukian Research :trans-2-HEXENOIC ACID
≥98.0%, Kosher
Odor:  cheesy, fatty
Flavor:  fruity
Used in cheese, fruit and caramel flavors.
Berje :trans-2-Hexenoic Acid
Citrus and Allied Essences :trans-2-Hexenoic acid
Fontarome :T2-HEXENOIC ACID
3-DAY LEAD-TIME
Odor:  Powerful fruity, sweet and warm
Frutarom :trans-2-HEXENOIC ACID
≥98.00% (sum of isomers), NI, Kosher
Odor:  Fatty, Herbal, Warm
Suggested Uses: Apple, Cheese, Grape, Hard Fruits, Soft Fruits, Strawberry, Tea
Inoue :TRANS-2-HEXENOIC ACID
Penta :trans-2-exenoic acid
SAFC Global® :trans-2-Hexenoic acid
≥98%, Kosher, FG
Odor:  musty; fatty; sweet
organoleptics :
odor type :fruity
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in propylene glycol.  		powerful fruity sweet warm herbal
taste description:
fruity sweet warm
properties :
appearence :colorless crystalline needles
assay : 96.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.95800 to 0.96800 @ 25.00 °C.
pounds per gallon - calc. : 7.972 to 8.055
refractive index :1.48500 to 1.50500 @ 20.00 °C.
melting point : 28.00 to 34.00 °C. @ 760.00 mm Hg
boiling point : 217.00 °C. @ 760.00 mm Hg
boiling point : 118.00 °C. @ 19.00 mm Hg
vapor pressure :0.30000 mm/Hg @ 20.00 °C.
vapor density :3.9 ( Air = 1 )
flash point : 230.00  °F.  TCC  ( 110.00 °C. )
logP (o/w) : 1.87
safety :
most important hazard(s) :C - Corrosive.
  R 34 - Causes burns.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 27 - Take off immediately all contaminated clothing.
S 28 - After contact with skin, wash immediately with plenty of water.
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 (E)-2-hexenoic acid fragrance usage levels up to :
 not for fragrance use.
recommendation for (E)-2-hexenoic acid flavor usage levels up to :
  50.0000 ppm in the flavor.
safety references :
EPI System :view
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 2829
 
WGK Germany :3
 
 
 
 
(E)-hex-2-enoic acid
(EINECS) number :236-528-5
chemidplus :013419697
EPA Substance Registry Services :13419-69-7
 
 
 
hex-2-enoic acid
(EINECS) number :214-727-8
chemidplus :001191044
EPA Substance Registry Services :1191-04-4
references :
 
(E)-hex-2-enoic acid
fl. number :08.054
jecfa number :1361
NIST Chemistry WebBook :379349364
pubchem :197983
Flavornet :13419-69-7
 
hex-2-enoic acid
fl. number :08.119
NIST Chemistry WebBook :1696585820
pubchem :157761
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
(E)-hex-2-enoic acid
trans-hex-2-enoic acid
trans-2-hexenoic acid
3-propyl acrylic acid
beta-propyl acrylic acid
soluble in :
 alcohol
 propylene glycol
 water, slightly
insoluble in :
 water
potential blenders :    note
 acetaldehydeFL
 acetaldehyde dimethyl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
 acetic acidFL
 acetoinFL/FR
 acetoin butyrateFL
 acetyl butyrylFL/FR
 acetyl isovalerylFL
 acetyl nonyrylFL/FR
 acetyl propionylFL/FR
2-acetyl-2-thiazolineFL
 amyl formateFL/FR
 benzaldehyde dimethyl acetalFL/FR
 benzyl lactateFL/FR
 butyl butyryl lactateFL/FR
 butyl lactateFL/FR
 butyl laevo-lactateFL/FR
isobutyl methyl ketoneFL/FR
 butyraldehydeFL
 butyric acidFL
isobutyric acidFL
 butyroinFL
 cinnamic acidFL/FR
 citronellal / methyl anthranilate schiff's baseFR
 citrus carbaldehydeFR
 coconut decanoneFR
 coriander leaf oilFL/FR
 cumin seed oilFL/FR
isocyclocitralFL/FR
neocyclocitralFR
 cyclohexyl acetic acidFL
 cyclohexyl carboxylic acidFL/FR
 dairy lactoneFL/FR
gamma-damasconeFR
delta-decalactoneFL/FR
 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
2,4-dimethyl-2-pentenoic acidFL
2,4-dimethyl-3-cyclohexene-1-methanolFR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetateFL
2,5-dithiahexaneFL
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
 heptanal 2,3-butane diol acetalFL
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)-2-hexen-1-alFL
(E)-3-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
4-hexen-3-oneFL
(Z)-3-hexenoic acidFL
 hexyl isovalerateFL/FR
2,4-ivy carbaldehydeFL/FR
 lemon oilFL/FR
 levulinic acidFL
 lime oilFL/FR
 methyl (Z)-5-octenoateFL
2-methyl 3-(methyl thio) furan 10% in triacetinFL
 methyl 4-(methyl thio) butyrateFL
 methyl 4-methyl valerateFL
2-methyl allyl butyrateFL
2-methyl butyl isovalerateFL/FR
2-methyl butyric acidFL/FR
3-methyl crotonic acidFL
2-methyl heptanoic acidFL/FR
2-methyl hexanoic acidFL/FR
5-methyl hexanoic acidFL
4-methyl octanoic acidFL
4-methyl pentanoic acidFL
S-(methyl thio) butyrateFL
3-(methyl thio) methyl thiopheneFL
S-(methyl thio) propionateFL
 methyl thiol isovalerateFL
 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
 nutty quinoxalineFL/FR
beta-ocimeneFL/FR
delta-octalactoneFL/FR
gamma-octalactoneFL/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
 prenyl hexanoateFL/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
delta-tetradecalactoneFL/FR
 tetrahydrocitralFL/FR
 tridecanalFL/FR
2-tridecanoneFL/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 :
 apple
 banana
 caramel
 cheese
 fruit
 grape
 herbal
 pork
 strawberry
natural occurrence in :    note
 apple  
 banana  
 beer  
 grape  
 peppermint oil S
 pork cooked pork  
 raspberry fruit  
 strawberry S
 tea  
 wine white wine  

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