(E)-2-pentenoic acid
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IUPAC name :(E)-pent-2-enoic acid
InChI :InChI=1/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
InChIKey :YIYBQIKDCADOSF-ONEGZZNKBC
SMILES :CC\C=C\C(=O)O
cas number :13991-37-2
% from :90.00% to 98.00%
(EINECS) number :237-791-9
beilstein number :1720312
coe number :10163
jecfa number :1804
fl. number :08.107
molar refractivity :26.83 ± 0.3 cm3
parachor :240.0 ± 4.0 cm3
index of refraction :1.452 ± 0.02
surface tension :34.1 ± 3.0 dyne/cm
density :1.008 ± 0.06 g/cm3
polarizability :10.63 ± 0.5 10-24cm3
XlogP : 1.20
molecular weight : 100.1158200 (IUPAC)
formula :C5 H8 O2
NMR Predictor :Predict
 
 
IUPAC name :(Z)-pent-2-enoic acid
InChI :InChI=1/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3-
InChIKey :YIYBQIKDCADOSF-ARJAWSKDBN
SMILES :CC\C=C/C(=O)O
cas number :16666-42-5
% from :2.00% to 10.00%
molar refractivity :26.83 ± 0.3 cm3
parachor :240.0 ± 4.0 cm3
index of refraction :1.452 ± 0.02
surface tension :34.1 ± 3.0 dyne/cm
density :1.008 ± 0.06 g/cm3
polarizability :10.63 ± 0.5 10-24cm3
XlogP : 1.20
molecular weight : 100.1158200 (IUPAC)
formula :C5 H8 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Fontarome :T2-PENTENOIC ACID
Odor:  Sour cheese
Frutarom :2-PENTENOIC ACID
≥98.00% (sum of isomers), NI, Kosher
Odor:  Cheese, Rancid, Sour
Suggested Uses: Alcoholic Beverages, Cheese, Chicken, Dairy Products, Soft Fruits
Penta :2-pentenoic acid
SAFC Global® :trans-2-Pentenoic acid
98%
organoleptics :
odor type :cheesy
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description:
at 100.00 %.  		acidic feta cheese buttery
Luebke, William tgsc, (2006)
substantivity :6 hour(s) at 100.00 %
properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.98400 to 0.99100 @ 25.00 °C.
pounds per gallon - calc. : 8.188 to 8.246
refractive index :1.44500 to 1.45400 @ 20.00 °C.
melting point : 9.00 to 11.00 °C. @ 760.00 mm Hg
boiling point : 108.00 °C. @ 17.00 mm Hg
boiling point : 197.00 to 199.00 °C. @ 760.00 mm Hg
vapor density :3.4 ( Air = 1 )
flash point : 215.00  °F.  TCC  ( 101.67 °C. )
logP (o/w) : 1.33
safety :
most important hazard(s) :C - Corrosive.
  R 22 - Harmful if swallowed.
R 34 - Causes burns.
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 28 - After contact with skin, wash immediately with plenty of water.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
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-pentenoic 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 : 22
 average usual ppmaverage maximum ppm
baked goods : 10.0000050.00000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : 5.0000025.00000
cheese : 3.0000015.00000
chewing gum : --
condiments / relishes : --
confectionery froastings : 10.0000050.00000
egg products : --
fats / oils : 2.0000010.00000
fish products : 2.0000010.00000
frozen dairy : 3.0000015.00000
fruit ices : 3.0000015.00000
gelatins / puddings : --
granulated sugar : --
gravies : 15.0000075.00000
hard candy : 10.0000050.00000
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : 2.0000010.00000
milk products : 3.0000015.00000
nut products : --
other grains : 5.0000025.00000
poultry : 2.0000010.00000
processed fruits : 2.0000010.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 5.0000025.00000
snack foods : --
soft candy : 10.0000050.00000
soups : 5.0000025.00000
sugar substitutes : --
sweet sauces : 5.0000025.00000
safety references :
EPI System :view
NLM Developmental and Reproductive Toxicity :Search
WISER :UN 3265
 
WGK Germany :3
 
 
 
 
(E)-pent-2-enoic acid
(EINECS) number :237-791-9
chemidplus :013991372
EPA Substance Registry Services :13991-37-2
 
 
 
(Z)-pent-2-enoic acid
chemidplus :16666-42-5
EPA Substance Registry Services :16666-42-5
dtp/nci :26713
references :
 
(E)-pent-2-enoic acid
fl. number :08.107
jecfa number :1804
NIST Chemistry WebBook :502602928
pubchem :670616
 
(Z)-pent-2-enoic acid
pubchem :87517
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(E)-pent-2-en-1-oic acid
(E)-pent-2-enoic acid
trans-2-pentenoic acid
soluble in :
 alcohol
 propylene glycol
insoluble in :
 water
potential blenders :    note
 acetoin acetateFL/FR
 acetyl isobutyrylFL/FR
 acetyl propionylFL/FR
 butyl octanoateFL/FR
 butyroinFL
 cinnamyl benzoateFL/FR
 coffee furanoneFL
gamma-decalactoneFL/FR
6-decenoic acidFL
 diacetylFL
 diacetyl trimerFL
alpha,alpha-dimethyl anisyl acetoneFL/FR
 dimethyl sulfoxideFL
delta-dodecalactoneFL/FR
 ethyl lactateFL/FR
2-ethyl pyrazineFL/FR
 ethyl undecanoateFL/FR
2,3-heptane dioneFL/FR
3,4-hexane dioneFL/FR
(E)-2-hexen-1-alFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexenoic acidFL
 jasmin pyranoneFL/FR
 linalyl butyrateFL/FR
3-methyl butyl 2-furyl butyrateFL
3-(methyl thio) hexanalFL
3-methyl valeric acidFL
gamma-nonalactoneFL/FR
 prenyl hexanoateFL/FR
 prenyl isobutyrateFL/FR
 sodium 4-methyl-2-oxovalerateFL
3-tetrahydrothiophenoneFL
(E,E)-2,4-undecadien-1-alFL
potential uses :
 butter
 butter rum
 butterscotch
 cheese
 cheese american cheese
 cheese blue cheese
 cheese camenbert cheese
 cheese cheddar cheese
 cheese ghee cheese
 cheese gouda
 cheese italian cheese
 cheese parmesan cheese
 cheese roguefort cheese
 cheese romano cheese
 cheese swiss cheese
 chicken
 cheese ghee cheese
 milk buttermilk
 rum butter rum
natural occurrence in :    note
 banana  
 beer  

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