2-undecen-1-al
 
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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
(EINECS) number :219-564-6
cas number :2463-77-6
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
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Bedoukian Research :2-UNDECENAL (HIGH TRANS)
≥94.0% (trans), Kosher
Cargill - Alfrebro :trans-2-UNDECENAL
natural, Kosher
Cargill - Alfrebro :trans-2-UNDECENAL
10% in MTCG, natural, Kosher
Cargill - Alfrebro :trans-2-UNDECENAL
10% in Ethyl Acetate, natural, Kosher

organoleptics :
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
fresh fruity orange peel

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.83700 to 0.84700 @ 25.00 °C.
pounds per gallon - calc. : 6.965 to 7.048
refractive index :1.45200 to 1.45900 @ 20.00 °C.
boiling point : 115.00 °C. @ 10.00 mm Hg
boiling point : 244.00 to 245.00 °C. @ 760.00 mm Hg
acid value : 6.00  max.  KOH/g
logp : 4.23

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 227.00  °F.  TCC  ( 108.33 °C. )
recommendation for 2-undecen-1-al usage levels up to :
  1.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 undec-2-enal
(EINECS) number :219-564-6
chemidplus :002463776
EPA Substance Registry Services :2463-77-6
NLM Chemical Carcinogenesis Research Information System :2463-77-6
NLM Developmental and Reproductive Toxicity :2463-77-6
NLM Env. Mutagen Info. Center :2463-77-6
NLM GENetic TOXicology :2463-77-6

references :
 undec-2-enal
jecfa number :1366
fl. number :05.109
pubchem :203862
NIST Chemistry WebBook :1101369160

other :
synonyms :
 undec-2-enal
2-undecen-1-al
2-undecenal

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 abies sibirica oil
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 propionate
 coconut absolute
 cuminaldehyde
 decanal
 decanol
 decyl acetate
 dimethyl anthranilate
 dimethyl benzyl carbinyl butyrate
 dimethyl nonanal
 diphenyl methane
 ethyl cinnamate
 ethyl decyl ether
 ethyl heptanoate
 geraniol
 geranyl acetate
 geranyl butyrate
 hexyl 2-methyl butyrate
 hexyl butyrate
 hexyl formate
 lauryl acetate
 lemon oil
 limonenes
 linalool
laevo-linalool
 linalyl acetate
 linalyl methyl anthranilate
 linalyl octanoate
 methyl anthranilate
 methyl decyl ketone
 methyl naphthyl ketone
 nerol
 neryl acetate
 nonanal
 nonanol
 octanal
 octanol
 olibanum oil
 phenethyl acetate
 phenethyl alcohol
 phenethyl isovalerate
isopropyl butyrate
 propyl formate
isopropyl formate
 propyl isovalerate
alpha-terpineol
alpha-terpinyl acetate
 tetrahydrocitral

(odor and/or flavor) used in :
 citrus
 cranberry
 cream
 fat
 fruit
 huckleberry bilberry
 milk
 orange

natural occurrence in :
found in nature



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Html Last modified 11/29/2008