(E)-2-hexenoic acid
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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
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
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
≥98.0%, Kosher
Odor:  cheesy, fatty
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
Inoue :TRANS-2-HEXENOIC ACID
Penta :trans-2-exenoic acid
Sigma-Aldrich-SAFC :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
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 :
 
recommendation for (E)-2-hexenoic acid usage levels up to :
 not for fragrance use.
recommendation for (E)-2-hexenoic acid 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
 hex-2-enoic acid
fl. number :08.119
NIST Chemistry WebBook :1696585820
pubchem :157761
other :
VCF-Online: VCF Volatile Compounds in Food
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
(odor and/or flavor) blends with :
 acetaldehyde
 acetaldehyde dimethyl acetal
 acetaldehyde ethyl phenethyl acetal
 acetic acid
 acetoin
 acetoin butyrate
 acetyl butyryl
 acetyl isovaleryl
 acetyl nonyryl
 acetyl propionyl
2-acetyl-2-thiazoline
 amyl formate
 benzaldehyde dimethyl acetal
 benzyl lactate
 butyl butyryl lactate
 butyl lactate
 butyl laevo-lactate
isobutyl methyl ketone
 butyraldehyde
 butyric acid
isobutyric acid
 butyroin
 cinnamic acid
 citronellal / methyl anthranilate schiff's base
 citrus carbaldehyde
 coconut decanone
 coriander leaf oil
 cumin seed oil
isocyclocitral
neocyclocitral
 cyclohexyl acetic acid
 cyclohexyl carboxylic acid
 dairy lactone
gamma-damascone
delta-decalactone
 decanal diethyl acetal
 decanoic acid
(Z)-7-decen-1-al
1,3-dimethoxybenzene
alpha,alpha-dimethyl anisyl acetone
 dimethyl benzyl carbinol
2,4-dimethyl-2-pentenoic acid
2,4-dimethyl-3-cyclohexene-1-methanol
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetate
2,5-dithiahexane
2,3-epoxydecanal
2,3-epoxyheptanal
 ethyl (E)-crotonate
 ethyl 2-methyl butyrate
 ethyl 2-methyl-2-pentenoate
 ethyl 3-oxohexanoate
2-ethyl butyric acid
 ethyl crotonate
 ethyl cyclohexyl carboxylate
 ethyl hexanoate
 ethyl lactate
 ethyl levulinate
 ethyl pyruvate
2-ethyl-2-heptenal
 filbert hexenone
 formic acid
 geranic acid
(E,E)-2,4-heptadien-1-al
(E,E)-2,4-heptadien-1-ol
delta-heptalactone
 heptanal 2,3-butane diol acetal
2,3-heptane dione
 heptanoic acid
3-heptanone
4-heptanone
(E)-2-hepten-1-al
(Z)-4-hepten-1-al
(E)-2-hepten-1-ol
(Z)-4-hepten-1-ol
(E)-2-heptenoic acid
 heptyl hexanoate
 hexanal
 hexanal diethyl acetal
 hexanoic acid
(E)-2-hexen-1-al
(E)-2-hexen-1-al
(E)-3-hexen-1-ol
(E)-3-hexen-1-yl acetate
4-hexen-3-one
(Z)-3-hexenoic acid
 hexyl isovalerate
2,4-ivy carbaldehyde
 lemon oil
 levulinic acid
 lime oil
 methyl (Z)-5-octenoate
2-methyl 3-(methyl thio) furan 10% in triacetin
 methyl 4-(methyl thio) butyrate
 methyl 4-methyl valerate
2-methyl allyl butyrate
2-methyl butyl isovalerate
2-methyl butyric acid
3-methyl crotonic acid
2-methyl heptanoic acid
2-methyl hexanoic acid
5-methyl hexanoic acid
4-methyl octanoic acid
4-methyl pentanoic acid
S-(methyl thio) butyrate
3-(methyl thio) methyl thiophene
S-(methyl thio) propionate
 methyl thiol isovalerate
 methyl tiglate
2-methyl valeric acid
3-methyl valeric acid
2-methyl-2-hexenoic acid
4-methyl-2-pentanol
4-methyl-2-penten-1-al
2-methyl-2-pentenoic acid
3-methyl-3-pentanol
2-methyl-4-pentenoic acid
 musk lactone
 neryl isovalerate
 nonanal dimethyl acetal
 nonanoic acid
2-nonanol
(E)-2-nonen-1-al
(Z)-6-nonen-1-al dimethyl acetal
 nutty quinoxaline
beta-ocimene
delta-octalactone
gamma-octalactone
 octanal glycol acetal
 octanoic acid
(Z)-3-octen-1-ol
(E)-2-octen-1-yl acetate
1-octen-3-yl butyrate
(E)-2-octenoic acid
 octyl isobutyrate
 orange oil
 orange oil bitter
2-penten-1-al
1-penten-3-ol
(E)-2-pentenoic acid
4-pentenoic acid
4-pentenyl isothiocyanate
 phenoxyacetic acid
 phenyl pyruvic acid
 pineapple pentenoate
 prenyl hexanoate
isopropenyl acetate
isopropyl butyrate
 propyl isovalerate
isopropyl mercaptan
 propyl propionate
2-isopropyl-3-(methyl thio) pyrazine
 pyruvaldehyde
 pyruvic acid
 rue oil
 rum ether
 sodium 4-methyl-2-oxovalerate
 sorbyl butyrate
 terpinyl butyrate
delta-tetradecalactone
 tetrahydrocitral
 tridecanal
2-tridecanone
 trimethyl cyclohexene
3,5,5-trimethyl hexanol
(E,E)-2,4-undecadien-1-al
 undecanoic acid
isovaleraldehyde
 valerian absolute
 valeric acid
isovaleric acid
 valerophenone
 vanillic acid
 violet decenol
(odor and/or flavor) used in :
 apple
 banana
 caramel
 cheese
 fruit
 grape
 herbal
 pork
 strawberry
natural occurrence in :
apple
banana
beer
grape
peppermint oil
pork cooked pork
raspberry fruit
strawberry
tea
wine white wine



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