2-methyl undecanal dimethyl acetal
 
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IUPAC name :1,1-dimethoxy-2-methylundecane
InChI :InChI=1/C14H30O2/c1-5-6-7-8-9-10-11-12-13(2)14(15-3)16-4/h13-14H,5-12H2,1-4H3
InChIKey :NJXYRZMLVYMJHM-UHFFFAOYAG
SMILES :CCCCCCCCCC(C)C(OC)OC
(EINECS) number :268-839-7
cas number :68141-17-3
molar refractivity :70.31 ± 0.3 cm3
parachor :623.2 ± 4.0 cm3
index of refraction :1.428 ± 0.02
surface tension :27.1 ± 3.0 dyne/cm
density :0.843 ± 0.06 g/cm3
polarizability :27.87 ± 0.5 10-24cm3
xlogp : 5.60
molecular weight : 230.3868000
formula :C14 H30 O2
 
 
fda reg :unspecified h. number :2911.00.5000
organoleptics : 
odor type :aldehydic
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
aldehydic amber lemon green waxy
substantivity :400  Hour(s)
properties : 
appearence :colorless to pale yellow clear liquid
assay : 92.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84500 - 0.85500 @ 20.00 °C.
pounds per gallon - calc. : 7.039 to 7.123
refractive index :1.42900 - 1.43300 @ 20.00 °C.
boiling point : 260.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
logp : 5.21
safety : 
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) :> 200.00  °F.  TCC  ( > 93.33 °C. )
  
recommendation for 2-methyl undecanal dimethyl acetal usage levels up to :
  1.0000 % in the fragrance concentrate.
  
recommendation for 2-methyl undecanal dimethyl acetal usage levels up to :
 not for flavor use.
  
safety links : 
(EINECS) number :268-839-7
chemidplus :068141173
epa-srs :68141-17-3
  
other : 
 
references : 
pubchem :686530
  
synonyms :
 aldehyde C-12 mna dimethyl acetal
1,1-dimethoxy-2-methyl undecane
 methyl nonyl acetaldehyde dimethyl acetal
2-methyl undecanal dimethyl acetal
alpha-methyl-alpha-nonyl acetaldehyde dimethyl acetal
soluble in :
 alcohol
insoluble in :
 water
stability :
 alkalis
 amines
 ammonia
(odor and/or flavor) used in :
 aldehydic
 amber
 balsam
 citrus
 green
 herbal
 incense
 lemon
 waxy
 woody
natural occurrence in :
not found in nature



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