(E)-2-undecen-1-al
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IUPAC name :(E)-undec-2-enal
InChI :InChI=1/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+
InChIKey :PANBRUWVURLWGY-MDZDMXLPBX
SMILES :CCCCCCCC\C=C\C=O
cas number :53448-07-0
% from :94.00% to 99.90%
(EINECS) number :258-559-3
fema number :3423
coe number :11827
fl. number :05.184
molar refractivity :53.25 ± 0.3 cm3
parachor :435.8 ± 4.0 cm3
index of refraction :1.442 ± 0.02
surface tension :28.8 ± 3.0 dyne/cm
density :0.837 ± 0.06 g/cm3
polarizability :21.11 ± 0.5 10-24cm3
XlogP : 4.70
molecular weight : 168.2759000
formula :C11 H20 O
NMR Predictor :Predict
 
 
IUPAC name :(Z)-undec-2-enal
InChI :InChI=1/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9-
InChIKey :PANBRUWVURLWGY-KTKRTIGZBF
SMILES :CCCCCCCCC=CC=O
cas number :71277-05-9
% from :0.10% to 3.50%
molar refractivity :53.25 ± 0.3 cm3
parachor :465.8 ± 4.0 cm3
index of refraction :1.442 ± 0.02
surface tension :28.8 ± 3.0 dyne/cm
density :0.837 ± 0.06 g/cm3
polarizability :21.11 ± 0.5 10-24cm3
XlogP : 4.70
molecular weight : 168.2759000
formula :C11 H20 O
NMR Predictor :Predict
 
 
IUPAC name :undec-2-enal
InChI :InChI=1/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3
InChIKey :PANBRUWVURLWGY-UHFFFAOYAY
SMILES :CCCCCCCCC=CC=O
cas number :2463-77-6
(EINECS) number :219-564-6
fema number :3423
coe number :11827
jecfa number :1366
fl. number :05.109
molar refractivity :53.25 ± 0.3 cm3
parachor :465.8 ± 4.0 cm3
index of refraction :1.442 ± 0.02
surface tension :28.8 ± 3.0 dyne/cm
density :0.837 ± 0.06 g/cm3
polarizability :21.11 ± 0.5 10-24cm3
XlogP : 4.70
molecular weight : 168.2759000
formula :C11 H20 O
NMR Predictor :Predict
 
 
export tariff code :2912.19.9000
fda reg :unspecified
Suppliers :
Apple :trans-2-Undecen-1-al
Bedoukian Research :2-UNDECENAL (HIGH TRANS)
≥94.0% (trans), Kosher
Odor:  fresh, fruity, citrus
Inoue :TRANS-2-UNDECENAL
Sigma-Aldrich-SAFC :trans-2-Undecenal
≥90%, Kosher
Odor:  orange; herbaceous; fruity
organoleptics :
odor type :aldehydic
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  		fresh fruity citrus orange peel
properties :
appearence :pale yellow clear liquid
assay : 96.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.84000 to 0.84800 @ 25.00 °C.
pounds per gallon - calc. : 6.990 to 7.056
refractive index :1.45200 to 1.46000 @ 20.00 °C.
boiling point : 115.00 °C. @ 10.00 mm Hg
boiling point : 94.00 °C. @ 2.00 mm Hg
acid value : 5.00  max.  KOH/g
vapor pressure :0.05000 mm/Hg @ 20.00 °C.
flash point : 220.00  °F.  TCC  ( 104.44 °C. )
logP (o/w) : 4.23
safety :
most important hazard(s) :Xi - Irritant
  R 38 - Irritating to skin.
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 37/39 - Wear suitable 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-undecen-1-al usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for (E)-2-undecen-1-al usage levels up to :
  15.0000 ppm in the flavor.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
 
WGK Germany :3
 
 
 
 (E)-undec-2-enal
(EINECS) number :258-559-3
chemidplus :053448070
EPA Substance Registry Services :53448-07-0
 
 
 (Z)-undec-2-enal
chemidplus :71277-05-9
EPA Substance Registry Services :71277-05-9
 
 
 undec-2-enal
(EINECS) number :219-564-6
chemidplus :002463776
EPA Substance Registry Services :2463-77-6
references :
 (E)-undec-2-enal
fl. number :05.184
NIST Chemistry WebBook :439661909
pubchem :681913
 (Z)-undec-2-enal
NIST Chemistry WebBook :3534895004
pubchem :10547845
 undec-2-enal
fl. number :05.109
jecfa number :1366
NIST Chemistry WebBook :1101369160
pubchem :203862
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(E)-3-octyl acrolein
(E)-undec-2-enal
trans-2-undecen-1-al
(E)-undecen-2-al
(E)-2-undecenal
trans-2-undecenal
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetyl nonyryl
 aldehydic nitrile
isoamyl acetate
isoamyl butyrate
isoamyl formate
isoamyl isobutyrate
isoamyl propionate
para-anisaldehyde
 benzyl propionate
 bergamot oil
 butyl isobutyrate
 cinnamaldehyde
 cinnamyl propionate
 citral
 citronella oil
 citronellal
 citronellyl nitrile
 citronellyl propionate
 coconut absolute
 cuminaldehyde
2,4-decadien-1-al
2,4-decadien-1-ol
 decanal
 decanal diethyl acetal
 decanol
(Z)-7-decen-1-al
3-decen-2-one
 decyl acetate
 dihydroxyacetophenone
 dimethyl anthranilate
 dimethyl benzyl carbinyl butyrate
 diphenyl methane
 dodecanal
 dodecanal dimethyl acetal
(Z)-4-dodecen-1-al
 epoxy-2-decenal
 ethyl cinnamate
 ethyl heptanoate
 ethyl hexanoate
 fresh carbaldehyde
 furfuryl hexanoate
 geraniol
 geranyl acetate
 geranyl butyrate
 geranyl oxyacetaldehyde
 green carbaldehyde
 guaiyl acetate
(E,E)-2,4-heptadien-1-al
 heptanal cyclic propylene acetal
3-heptanone
(Z)-4-hepten-1-al
2-hepten-1-al
2-heptyl furan
 hexanal
 hexanal butane-2,3-diol acetal
 hexanal octane-1,3-diol acetal
(Z)-3-hexen-1-yl oxyacetaldehyde
 hexyl (E)-2-hexenoate
 hexyl 2-methyl butyrate
 hexyl butyrate
alpha-hexyl cinnamaldehyde dimethyl acetal
 hexyl formate
 lauryl acetate
 lemon oil
 lime octadienal
 linalool
laevo-linalool
 linalyl acetate
 linalyl octanoate
 mandarine undecenal
 marine decadienal
 methyl 10-undecenal
 methyl 2-hexenoate
 methyl 2-methyl butyrate
 methyl anthranilate
2-methyl decanal
 nerol
 neryl acetate
(E,Z)-2,6-nonadien-1-al
2,4-nonadien-1-al
(E,Z)-3,6-nonadien-1-ol
2,4-nonadien-1-ol
 nonanal
 nonanol
(E)-2-nonen-1-al
(E)-2-nonen-1-yl acetate
(E,E)-2,4-octadien-1-al
 octanal
 octanol
(E)-2-octen-1-al
2-octen-1-al
(E)-2-octen-1-yl acetate
 octen-1-yl cyclopentanone
 phenethyl acetate
 phenethyl alcohol
 phenethyl isovalerate
isopropyl butyrate
 propyl formate
isopropyl formate
 propyl isovalerate
alpha-terpineol
alpha-terpinyl acetate
(E)-2-tetradecen-1-al
2-tetradecen-1-al
 tetrahydrocitral
(E)-2-tridecen-1-al
2-tridecen-1-al
 undecanal
N-/i-undecanal
(Z)-8-undecen-1-al
10-undecen-1-al
8-undecen-1-al
 waxy aldehyde
 waxy nitrile
 waxy undecadienol
(odor and/or flavor) used in :
 citrus
 cranberry
 cream
 fat
 fruit
 huckleberry bilberry
 milk
 orange
natural occurrence in :
beef heated beef
bilberry
data pagecerastium candidissimum corr. oil greece @ trace%
chicken cooked chicken
data pagecoriander leaf oil @ 1.18-5.32%
cranberry
filbert roasted filbert
fish products
lard heated
milk
peanut roasted peanut
pecan
pork heated pork
potato chip
data pagewitch hazel leaf oil @ 0.03%



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