2-tridecen-1-al
 
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IUPAC name :tridec-2-enal
InChI :InChI=1/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-13H,2-10H2,1H3
InChIKey :VMUNAKQXJLHODT-UHFFFAOYAB
SMILES :CCCCCCCCCCC=CC=O
(EINECS) number :231-883-2
cas number :7774-82-5
fema number :3082
coe number :2011
jecfa number :1359
fl. number :05.078
molar refractivity :62.52 ± 0.3 cm3
parachor :545.4 ± 4.0 cm3
index of refraction :1.446 ± 0.02
surface tension :29.4 ± 3.0 dyne/cm
density :0.838 ± 0.06 g/cm3
polarizability :24.78 ± 0.5 10-24cm3
xlogp : 5.80
molecular weight : 196.3290600
formula :C13 H24 O
 
 
fda reg :172.515 h. number :2912.19.0000
organoleptics : 
odor type :aldehydic
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
powerful waxy citrus peel tangerine
taste description³ :at 30.00 ppm.  
Aldehydic, citrus-Iike fatty, green and creamy
properties : 
appearence :colorless to pale yellow clear oily liquid
assay : 92.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :Yes
specific gravity :0.84200 - 0.86200 @ 25.00 °C.
pounds per gallon - calc. : 7.006 to 7.173
refractive index :1.45700 - 1.46000 @ 20.00 °C.
boiling point : 115.00 - 118.00 °C. @ 10.00 mm Hg
boiling point : 106.00 - 108.00 °C. @ 0.28 mm Hg
logp : 5.30
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) : 282.00  °F.  TCC  ( 138.89 °C. )
  
recommendation for 2-tridecen-1-al usage levels up to :
  1.0000 % in the fragrance concentrate.
  
recommendation for 2-tridecen-1-al usage levels up to :
  30.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :231-883-2
rtecs :YD4593000 for 7774-82-5
chemidplus :7774-82-5
epa-srs :7774-82-5
  
other : 
 
references : 
pubchem :11409699
  
reference : Mosciano, Gerard P&F 18, No. 2, 38, (1993)³
synonyms :
3-decyl acrolein
 tridec-2-enal
2-tridecen-1-al
 tridecenal
2-tridecenal
soluble in :
 alcohol
 fixed oils
 water, very slightly
insoluble in :
 water
(odor and/or flavor) blends with :
 ambroxan
 amyl cyclopentanone
isoamyl phenyl acetate
 amyris wood oil
para-anisaldehyde
 beeswax absolute
 benzoin resinoid
 blood orange oil
isobutyl quinoline
 carrot seed oil
 cassia bark oil
 cedarwood oils
 cistus oil
 coumarin
para-cresyl caprylate
 cyclamen aldehyde
 decanol
9-decen-1-ol
 dihydromyrcenol
 dimethyl cyclohexenyl pentenone
 ethyl cinnamate
 ethyl laurate
 ethyl vanillin
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 frankincense oil
 galbanum ketone
 galbanum oil
 geranyl nitrile
 guaiacwood oil
 gurjun balsam oil
 heliotropin
(Z)-3-hexen-1-yl acetate
alpha-hexyl cinnamaldehyde
 ho leaf oil
 ionones
 jasmin absolute
 labdanum resinoid
 lavender absolute
 lilyall
 lilyall / methyl anthranilate schiff's base
laevo-linalool
 methyl cedryl ketone
 methyl dihydrojasmonate
 methyl ionones
 methyl octine carbonate
2-methyl undecanal
 musk decenone
 musks
 nerolidol
 nonanol
 ocean propanal
 patchouli ethanone
 patchouli oil
 raspberry ketone methyl ether
 rose absolute
 rose absolute pentanol
 santall
 tonka bean absolute
 trimenal
 trimethyl hexanal
gamma-undecalactone
10-undecen-1-al
 vanilla absolute
 verymoss
 violet leaf absolute
 yara yara
 ylang ylang oil
(odor and/or flavor) used in :
 acacia
 agrumen
 aldehydic
 amber
 apple blossom
 baby powder
 balsam
 bayberry
 blue grass
 bouquet
 briar sweet briar eglantine
 cassia blossom
 cherry blossom
 chypre
 cilantro
 citrus
 clary sage
 cologne
 coriander
 crabapple blossom
 dahlia
 dairy
 elder blossom
 fantasy blends
 fat chicken fat
 fir balsam
 floral
 forest pine forest
 green
 herbal
 hollyberry
 jasmin
 mandarin
 marjoram
 millefleurs
 musk
 neroli
 ocean sea
 orris iris
 patchouli
 petal waxy petal
 privet blossom
 rain
 rain spring rain
 rose
 rose tea rose
 rose white rose
 stephanotis
 tallow
 tangerine
 wallflower giroflee
 waxy
 woodruff asperula
 woody
natural occurrence in :
data pagecoriander leaf oil @ 1.83-2.53%
sunguli oil



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