(E)-2-penten-1-al
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IUPAC name :pent-2-enal
InChI :InChI=1/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3
InChIKey :DTCCTIQRPGSLPT-UHFFFAOYAF
SMILES :CCC=CC=O
cas number :764-39-6
(EINECS) number :212-120-2
beilstein number :1719742
fema number :3218
coe number :10375
jecfa number :1364
fl. number :05.102
molar refractivity :25.45 ± 0.3 cm3
parachor :227.1 ± 4.0 cm3
index of refraction :1.413 ± 0.02
surface tension :24.6 ± 3.0 dyne/cm
density :0.824 ± 0.06 g/cm3
polarizability :10.09 ± 0.5 10-24cm3
XlogP : 1.30
molecular weight : 84.1164200
formula :C5 H8 O
NMR Predictor :Predict
 
 
IUPAC name :(E)-pent-2-enal
InChI :InChI=1/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+
InChIKey :DTCCTIQRPGSLPT-ONEGZZNKBM
SMILES :CC\C=C\C=O
cas number :1576-87-0
(EINECS) number :216-414-1
beilstein number :1719742
fema number :3218
molar refractivity :25.45 ± 0.3 cm3
parachor :227.1 ± 4.0 cm3
index of refraction :1.413 ± 0.02
surface tension :24.6 ± 3.0 dyne/cm
density :0.824 ± 0.06 g/cm3
polarizability :10.09 ± 0.5 10-24cm3
XlogP : 1.30
molecular weight : 84.1164200
formula :C5 H8 O
NMR Predictor :Predict
 
 
export tariff code :2912.19.9000
fda reg :unspecified
Suppliers :
Apple :trans-2-Penten-1-al
Bedoukian Research :trans-2-PENTEN-1-AL
≥95.0%, Kosher
Odor:  pungent green, fruity, apple
Citrus and Allied Essences :trans-2-pentenal
Fontarome :T2-PENTENAL
Odor:  Pungent, green, apple, orange, tomato
Inoue :TRANS-2-PENTENAL
Penta :trans-2-penten-1-al
Sigma-Aldrich-SAFC :trans-2-Pentenal
≥95%, Kosher, FG
Odor:  apple; orange; green; vegetable
organoleptics :
odor type :green
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  		pungent green fruity apple orange tomato
properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85000 to 0.86500 @ 25.00 °C.
pounds per gallon - calc. : 7.073 to 7.198
refractive index :1.43900 to 1.45100 @ 20.00 °C.
melting point : 16.00 °C. @ 760.00 mm Hg
boiling point : 80.00 to 81.00 °C. @ 160.00 mm Hg
boiling point : 56.00 °C. @ 65.00 mm Hg
acid value : 8.00  max.  KOH/g
vapor pressure :50.00000 mm/Hg @ 20.00 °C.
flash point : 73.00  °F.  TCC  ( 22.78 °C. )
logP (o/w) : 1.04
safety :
most important hazard(s) :Xi - Irritant
  R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
S 29 - Do not empty into drains.
S 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) :
  Intraperitoneal-Mouse    244.00  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for (E)-2-penten-1-al usage levels up to :
 not for fragrance use.
recommendation for (E)-2-penten-1-al usage levels up to :
  20.0000 ppm in the flavor.
safety references :
EPI System :view
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1989
 
WGK Germany :3
 
 
 
 pent-2-enal
(EINECS) number :212-120-2
RTECS :SB1560000 for 764-39-6
chemidplus :000764396
EPA Substance Registry Services :764-39-6
 
 
 (E)-pent-2-enal
(EINECS) number :216-414-1
chemidplus :001576870
EPA Substance Registry Services :1576-87-0
references :
 pent-2-enal
fl. number :05.102
jecfa number :1364
NIST Chemistry WebBook :1222489369
pubchem :156345
 (E)-pent-2-enal
NIST Chemistry WebBook :2958817563
pubchem :670595
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(E)-3-ethyl acrolein
(E)-3-ethyl-2-propen-1-al
(E)-pent-2-en-1-al
 pent-2-enal
trans-2-penten-1-al
(E)-2-pentenal
2-(E)-pentenal
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetaldehyde benzyl 2-methoxyethyl acetal
 acetaldehyde dihexyl acetal
 acetaldehyde methyl hexyl acetal
 allyl cyclohexyl acetate
 allyl heptanoate
 allyl tiglate
 amyl 2-methyl butyrate
isoamyl benzoate
alpha-amyl cinnamaldehyde diethyl acetal
 amyl hexanoate
 amyl isobutyrate
isoamyl isobutyrate
 amyl isovalerate
isoamyl valerate
 apple ketal
 benzyl isovalerate
 benzyl propionate
 berry pentadienoate
 buchu mercaptan
 butyl 2-methyl butyrate
 butyl heptanoate
 butyl isovalerate
isobutyl isovalerate
 citronellyl propionate
 cognac heptanone
para-cresyl isobutyrate
 cyclohexyl butyrate
 cyclohexyl isovalerate
 cyclohexyl propionate
alpha-damascone
gamma-damascone
3-decen-2-one
9-decenoic acid
 decyl butyrate
 diethyl 1-malate
6,8-dimethyl-2-nonanol
 ethyl (E,Z)-2,4-decadienoate
 ethyl (E)-2-decenoate
 ethyl (E)-2-hexenoate
 ethyl (E)-4-decenoate
 ethyl 2-octenoate
 ethyl decanoate
 ethyl isovalerate
 ethyl methyl-para-tolyl glycidate
 ethyl valerate
2-ethyl-4-butanol
 fir carboxylate
 fruity ketal
1-furfuryl pyrrole
 geranyl acetate
(E)-geranyl acetone
 geranyl hexanoate
 geranyl isovalerate
 geranyl methyl ethyl acetate
 grape butyrate
 green dioxolane
(E,E)-2,4-heptadien-1-ol
 heptyl 2-methyl butyrate
3-heptyl dihydro-5-methyl-2(3H)-furanone
 heptyl formate
 heptyl isobutyrate
 hexanal propylene glycol acetal
3-hexanone
(E)-2-hexen-1-al diethyl acetal
(Z)-3-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
(E)-2-hexen-1-al dimethyl acetal
(Z)-3-hexen-1-al dimethyl acetal
(Z)-3-hexen-1-yl (E)-2-hexenoate
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(Z)-3-hexen-1-yl acetate
2-hexen-1-yl acetate
(E)-2-hexen-1-yl butyrate
(Z)-3-hexen-1-yl formate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl isovalerate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl propionate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
1-hexen-3-yl acetate
 hexyl 2-methyl butyrate
 hexyl butyrate
 hexyl formate
 hexyl isobutyrate
 hexyl isovalerate
 hexyl octanoate
 hexyl phenyl acetate
 hexyl pivalate
 hexyl propionate
 hydroxycitronellal
 jasmin cyclopentanol
 lily pentanal
 lily propanol
 linalyl hexanoate
 marine formate
 melon nonenoate
 methyl 2-hexenoate
 methyl 2,4-decadienoate
 methyl 4-pentenoate
2-methyl butyl 2-methyl butyrate
 methyl butyl phenyl acetate
 methyl butyrate
 methyl citronellate
 methyl dimethyl anthranilate
(E)-methyl geranate
 methyl isovalerate
2-methyl undecanal dimethyl acetal
 methyl valerate
3-methyl valeric acid
 nerolin fragarol
 neryl butyrate
(E)-2-nonen-1-yl acetate
 nonyl isovalerate
 papaya isobutyrate
 phenyl acetaldehyde ethylene glycol acetal
4-phenyl-2-butyl acetate
 propyl heptanoate
 propyl isovalerate
isopropyl isovalerate
alpha-isopropyl phenyl acetaldehyde
 rue flower oil colombia
 rue oil
 rue oil cuba
 sorbyl isobutyrate
 thiogeraniol
 tiglaldehyde
 tricyclodecyl acetate
2-undecen-1-al
 woody acetate
(odor and/or flavor) used in :
 apple
 green
 orange
 pear
 pineapple
 tomato
 topnotes
natural occurrence in :
cognac
pea
raspberry
strawberry
tomato



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