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
cas number :123-75-1
(EINECS) number :204-648-7
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
NMR Predictor :Predict
 
 
export tariff code :2933.90
fda reg :unspecified

Suppliers :
Penta :pyrrolidine
Sigma-Aldrich-Aldrich :Pyrrolidine
≥99%, Kosher

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

properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84700 to 0.85300 @ 25.00 °C.
pounds per gallon - calc. : 7.048 to 7.098
refractive index :1.44000 to 1.44600 @ 20.00 °C.
boiling point : 87.00 to 88.00 °C. @ 760.00 mm Hg
vapor pressure :62.70000 mm/Hg @ 25.00 °C.
vapor density :2.45 ( Air = 1 )
flash point : 37.00  °F.  TCC  ( 2.78 °C. )
logP (o/w) : 0.46

safety :
most important hazard(s) :T - Toxic.
  R 11 - Highly flammable.
R 20/22 - Harmful by inhalation and if swallowed.
R 35 - Causes severe burns.
S 01/02 - Keep locked up and out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 28 - After contact with skin, wash immediately with plenty of water.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
Oral Toxicity(LD50) :
  Oral-Rat    300.00  mg/kg

Oral-Guineapig    250.00  mg/kg

Oral-Mouse    450.00  mg/kg

Intraperitoneal-Mouse    420.00  mg/kg

Oral-Rabbit    250.00  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Inhalation-Mouse  1300.00  mg/m3/2H
  
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :2.00 (μg/capita/day)
Threshold of concern :540 (μg/person/day)
 
recommendation for pyrrolidine usage levels up to :
 not for fragrance use.

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
NIOSH International Chemical Safety Cards :search
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
EPA GENetic TOXicology :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1922
 
WGK Germany :2
 
 
 
 pyrrolidine
(EINECS) number :204-648-7
RTECS :123-75-1
chemidplus :000123751
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :123-75-1
dtp/nci :62781

references :
 pyrrolidine
fl. number :14.064
jecfa number :1609
NIST Chemistry WebBook :123751
pubchem :173311

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 butylenimine
1-azacyclopentane
perhydropyrrole
 tetrahydropyrrole
 tetramethylenimine

soluble in :
 alcohol
 water, 1000000 mg/L @ 20C

(odor and/or flavor) blends with :
2-acetyl-1-pyrroline
1-amino-2-propanol
 amyl amine
para-anisyl formate
 butyl amine
(±)-sec-butyl amine
isobutyl amine
4,5-dimethyl thiazole
 ethyl amine
 hexyl amine
 lavandin oil grosso
2-methyl butyl amine
2-methyl piperidine
 orange nitrile
3-penten-2-one
isopentylidene isopentyl amine
 phenethyl amine
 propionyl pyrroline 1% in vegatable oil triglyceride
isopropyl amine
 seaweed absolute
 tangerine acetate
 treemoss absolute
(R)-N,N,alpha-trimethyl benzyl amine
 tripropyl amine

(odor and/or flavor) used in :
 algae
 animal
 egg
 seafood
 seaweed
 shellfish
 shrimp

natural occurrence in :
peanut roasted peanut



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