pentadecane
 
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IUPAC name :pentadecane
InChI :InChI=1/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
InChIKey :YCOZIPAWZNQLMR-UHFFFAOYAP
SMILES :CCCCCCCCCCCCCCC
(EINECS) number :211-098-1
cas number :629-62-9
beilstein number :1698194
fl. number :01.054
molar refractivity :71.54 ± 0.3 cm3
parachor :628.9 ± 4.0 cm3
index of refraction :1.431 ± 0.02
surface tension :26.9 ± 3.0 dyne/cm
density :0.769 ± 0.06 g/cm3
polarizability :28.36 ± 0.5 10-24cm3
xlogp : 7.20
molecular weight : 212.4145800
formula :C15 H32
BioActivity Analysis :444265
 
 
fda reg :unspecified h. number :2901.10.5000
organoleptics : 
odor strength :low
odor description :
at 100.00 %.  
waxy
properties : 
appearence :colorless clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.76550 - 0.76850 @ 25.00 °C.
pounds per gallon - calc. : 6.370 to 6.395
refractive index :1.43050 - 1.43350 @ 20.00 °C.
melting point : 8.00 - 10.00 °C. @ 760.00 mm Hg
boiling point : 270.00 - 271.00 °C. @ 760.00 mm Hg
logp : 8.73
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 270.00  °F.  TCC  ( 132.22 °C. )
  
recommendation for pentadecane usage levels up to :
  10.0000 % in the fragrance concentrate.
  
recommendation for pentadecane usage levels up to :
 not for flavor use.
  
safety links : 
(EINECS) number :211-098-1
rtecs :RZ1800000 for 629-62-9
chemidplus :000629629
epa-srs :629-62-9
dtp/nci :172781
  
other : 
 
references : 
pubchem :155712
NIST Chemistry WebBook :3782864781
  
synonyms :
 pentadecane
N-pentadecane
soluble in :
 alcohol
 water, 760000 mg/L @ 25C
insoluble in :
 water
natural occurrence in :
data pagealpinia galanga oil @ 1.90%
data pagecarnation absolute @ <0.01%
data pagecassie absolute @ 0.26%
data pagecerastium candidissimum corr. oil greece @ trace%
data pagecostmary oil @ 0.36%
data pagedialium guineense wild.fruit oil france @ 4.80%
data pagegrapefruit oil c.p. russia @ 0.04%
data pagegrapefruit oil c.p. russia @ 0.05%
data pagegrapefruit oil c.p. russia @ 0.07%
data pagegrapefruit oil c.p. russia @ 0.32%
data pagelecythis usitata miers. var. paraensis (ducke) r. kunth. flower oil brazil @ 0.10%
data pagelime oil expressed florida @ trace%
data pagelippia alnifolia schau. leaf oil brazil @ 0.70%
data pagerose absolute morocco @ 0.10%
data pagerose oil otto bulgaria @ 0.70%
data pagetagete oil CO2 extract @ 0.13%
data pagewitch hazel leaf oil @ 0.10%



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