10-undecen-1-al (aldehyde C-11 undecylenic)
 
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IUPAC name :undec-10-enal
InChI :InChI=1/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2
InChIKey :OFHHDSQXFXLTKC-UHFFFAOYAS
SMILES :C=CCCCCCCCCC=O
(EINECS) number :203-973-1
cas number :112-45-8
beilstein number :1746480
fema number :3095
coe number :122
jecfa number :330
fl. number :05.035
molar refractivity :52.92 ± 0.3 cm3
parachor :467.6 ± 4.0 cm3
index of refraction :1.435 ± 0.02
surface tension :28.4 ± 3.0 dyne/cm
density :0.830 ± 0.06 g/cm3
polarizability :20.98 ± 0.5 10-24cm3
xlogp : 4.80
molecular weight : 168.2759000
formula :C11 H20 O
 
 
fda reg :172.515 h. number :2912.30.0000
organoleptics : 
odor type :aldehydic
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
waxy rose fatty mandarin aldehydic citrus
taste description³ :at 2.50 ppm.  
Fatty, oily and aldehydic with a mandarin, citrus nuance
substantivity :293 hour(s) at 100.00 %
properties : 
appearence :colorless to pale yellow clear liquid
assay : 90.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.84000 - 0.84800 @ 25.00 °C.
pounds per gallon - calc. : 6.990 to 7.056
specific gravity :0.84100 - 0.84900 @ 20.00 °C.
pounds per gallon - calc. : 7.006 to 7.073
refractive index :1.44000 - 1.44500 @ 20.00 °C.
boiling point : 98.00 - 100.00 °C. @ 3.00 mm Hg
boiling point : 235.00 °C. @ 760.00 mm Hg
acid value : 6.00  max.  KOH/g
logp : 4.12
shelf life : 12.00 month(s) or longer if stored properly.
Storage :refrigerate in tightly sealed containers.
safety : 
most important hazard(s) : N - Dangerous for the environment.
  
Oral Toxicity(LD50) : Oral-Rat    >5000.00  mg/kg    (Hart & Wong, 1971)
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg  FCTXAV  11,479.1973
Maximised Survey-derived Daily Intakes (MSDI) :0.32 (μg/capita/day)
  
flash point ( Deg. F. ) : 199.00  °F.  TCC  ( 92.78 °C. )
  
recommendation for 10-undecen-1-al (aldehyde C-11 undecylenic) usage levels up to :
  1.0000 % in the fragrance concentrate.
  
recommendation for 10-undecen-1-al (aldehyde C-11 undecylenic) usage levels up to :
  2.5000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :203-973-1
rtecs :YQ2835000 for 112-45-8
chemidplus :000112458
epa-srs :112-45-8
dtp/nci :44900
  
other : 
  C of A
references : 
pubchem :151317
NIST Chemistry WebBook :2182362040
  
reference : Mosciano, Gerard P&F 22, No. 5, 67, (1997)³
synonyms :
 aldehyde C-11 undecylenic
 hendecenal
10-hendecenal
 intreleven aldehyde
 undec-10-enal
10-undecen-1-al
1-undecen-10-al
10-undecenal
 undecylenaldehyde
10-undecylene aldehyde
10-undecylenealdehyde
 undecylenic aldehyde
soluble in :
 alcohol
 dipropylene glycol
 fixed oils
 paraffin oil
 propylene glycol
 water, 30 mg/L @ 20C
insoluble in :
 water
 glycerin
stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergent perborate
 fabric softener
 non-discoloring in most media
 shampoo
 soap
(odor and/or flavor) blends with :
 ambroxan
 amyris wood oil
 beeswax absolute
 benzoin resinoid
 benzyl cinnamate
isobutyl salicylate
 carrot seed oil
 cassia bark oil
 cedarwood oils
 costus valerolactone
 cyclamen aldehyde
 decanal
 decanol
9-decen-1-ol
 dihydrojasmone
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
 dodecanal
 ethyl cinnamate
 ethyl laurate
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 geranium oil
 guaiacwood oil
 heliotropyl acetone
 labdanum resinoid
 lavender absolute
laevo-linalool
 linalool oxide
 methyl cedryl ketone
 oakmoss absolute - fixer
 ocean propanal
 olibanum oil
 orris absolute - fixer
 patchouli ethanone
 patchouli oil - fixer
 phenyl acetaldehyde dimethyl acetal
 raspberry ketone methyl ether
 rose absolute
 rose butanoate
 sandalwood oil - fixer
 santall
 tonka bean absolute
 tuberose absolute
gamma-undecalactone
 verymoss
 vetiver oil
 watermelon ketone
 woody acetate
(odor and/or flavor) used in :
 aimant
 aldehydic
 amour-amour
 angel
 arpege
 bayberry
 berry
 bouquet
 cassie acacia farnesiana
 chanel #5
 cherry
 cherry blossom
 citrus
 crabapple blossom
 floral
 forest pine forest
 gardenia
 green
 herbal
 hollyberry
 honey miel
 honeysuckle chevrefeuille
 incense
 joy
 leather
 lilac lilas syringa
 mandarin
 mimosa wattle
 musk
 my sin
 myrrh
 new car
 orange
 orris iris
 peony
 pine
 powder
 rain
 rive gauche
 rochas
 rose
 rose red rose
 rose white rose
 scandal
 shalimar
 spice
 tangerine
 topnotes
 tuberose tubereuse
 wallflower giroflee
 waxy
 white linen
 woody
 zibeline
natural occurrence in :
found in nature



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