pyrrolidine
 
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IUPAC name :pyrrolidine
InChI :InChI=1/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
InChIKey :RWRDLPDLKQPQOW-UHFFFAOYAX
SMILES :C1CCNC1
(EINECS) number :204-648-7
cas number :123-75-1
beilstein number :0102395
fema number :3523
coe number :10491
jecfa number :1609
fl. number :14.064
molar refractivity :21.79 ± 0.3 cm3
parachor :192.9 ± 4.0 cm3
index of refraction :1.427 ± 0.02
surface tension :26.8 ± 3.0 dyne/cm
density :0.839 ± 0.06 g/cm3
polarizability :8.64 ± 0.5 10-24cm3
xlogp : 0.30
molecular weight : 71.1209600
formula :C4 H9 N
BioActivity Analysis :109780
 
 
fda reg :unspecified h. number :2933.90
organoleptics : 
odor type :ammoniacal
odor strength :very high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
ammonia animal egg amine
taste description³ :at 50.00 ppm.  
Ammonia and fishy amine-like with seaweed and shellfish nuances
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84700 - 0.85300 @ 25.00 °C.
pounds per gallon - calc. : 7.048 to 7.098
refractive index :1.44000 - 1.44600 @ 20.00 °C.
boiling point : 87.00 - 88.00 °C. @ 760.00 mm Hg
logp : 0.46
safety : 
Oral Toxicity(LD50) : Oral-Rat    300.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 37.00  °F.  TCC  ( 2.78 °C. )
  
recommendation for pyrrolidine usage levels up to :
 not for fragrance use.
  
safety links : 
(EINECS) number :204-648-7
rtecs :UX9650000 for 123-75-1
chemidplus :000123751
epa-srs :123-75-1
dtp/nci :62781
  
other : 
 
references : 
pubchem :173311
  
reference : Mosciano, Gerard P&F 20, No. 2, 37, (1995)³
synonyms :
 butylenimine
1-azacyclopentane
perhydropyrrole
 pyrrolidine
 tetrahydropyrrole
 tetramethylenimine
soluble in :
 alcohol
 water, 1000000 mg/L @ 20C
(odor and/or flavor) used in :
 algae
 animal
 egg
 seafood
 seaweed
 shellfish
 shrimp
natural occurrence in :
peanut roasted peanut



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