2-propyl pyridine
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IUPAC name :2-propylpyridine
InChI :InChI=1/C8H11N/c1-2-5-8-6-3-4-7-9-8/h3-4,6-7H,2,5H2,1H3
InChIKey :OIALIKXMLIAOSN-UHFFFAOYAH
SMILES :CCCC1=CC=CC=N1
cas number :622-39-9
(EINECS) number :210-732-4
fema number :4065
coe number :14143
jecfa number :1322
fl. number :14.164
molar refractivity :38.52 ± 0.3 cm3
parachor :317.8 ± 4.0 cm3
index of refraction :1.495 ± 0.02
surface tension :33.6 ± 3.0 dyne/cm
density :0.918 ± 0.06 g/cm3
polarizability :15.27 ± 0.5 10-24cm3
XlogP : 1.90
molecular weight : 121.1796400
formula :C8 H11 N
BioActivity Analysis :67833
NMR Predictor :Predict
 
 
export tariff code :2933.39.4700
fda reg :unspecified

Suppliers :
Endeavour :2-Propylpyridine
98%
Penta :2-propyl pyridine
Sigma-Aldrich-SAFC :2-Propylpyridine
97+ %
Odor:  green; minty; floral
Treatt :2-Propylpyridine

organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
tobacco nutty

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.90700 to 0.91700 @ 25.00 °C.
pounds per gallon - calc. : 7.547 to 7.630
refractive index :1.49000 to 1.49600 @ 20.00 °C.
melting point : 2.00 to 3.00 °C. @ 760.00 mm Hg
boiling point : 169.00 to 171.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :2.29000 mm/Hg @ 25.00 °C.
flash point : 133.00  °F.  TCC  ( 56.11 °C. )
logP (o/w) : 2.33

safety :
most important hazard(s) :Xi - Irritant
  R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.90 (μg/capita/day)
 
recommendation for 2-propyl pyridine usage levels up to :
 not for fragrance use.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 21
 average usual ppmaverage maximum ppm
baked goods : 0.600001.00000
beverages(nonalcoholic) : 0.200000.40000
beverages(alcoholic) : --
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : 0.300000.50000
fruit ices : --
gelatins / puddings : 0.300000.60000
granulated sugar : --
gravies : 0.300000.60000
hard candy : 0.400000.80000
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : 0.200000.40000
milk products : --
nut products : 0.300000.60000
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 0.300000.60000
snack foods : 0.300000.60000
soft candy : 0.300000.60000
soups : 0.200000.40000
sugar substitutes : --
sweet sauces : --

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
NLM Developmental and Reproductive Toxicity :Search
EPA Chem. Sub. Inventory : Yes
WISER :UN 1993
 
WGK Germany :3
 
 
 
 2-propylpyridine
(EINECS) number :210-732-4
chemidplus :000622399
EPA Substance Registry Services :622-39-9
dtp/nci :966

references :
 2-propylpyridine
fl. number :14.164
jecfa number :1322
NIST Chemistry WebBook :1993545614
pubchem :000622399

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 conyrine
2-n-propyl pyridine
2-propylpyridine
1-(2-pyridyl) propane

soluble in :
 alcohol
 water, slightly

insoluble in :
 water

(odor and/or flavor) blends with :
2-acetyl pyridine
 amber decatriene
 ambrette seed absolute
alpha-amyl cinnamyl isovalerate
 amyl phenyl acetate
 beeswax absolute
 boronia butenal
 bran absolute
 capsicum oleoresin
alpha-cedrene epoxide
 chamomile flower oil germany
para-cresyl isovalerate
 cyclohexanone diethyl acetal
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
delta-damascone
 deertongue absolute
N,N-diethyl octanamide
 ethyl 3-hydroxyhexanoate
3-ethyl pyridine
 fig leaf absolute
 genet absolute
 hay absolute
gamma-hexalactone
2'-hydroxyacetophenone
isolongifolene ketone
 mate absolute
 methyl 2-furoate
 methyl benzoxole
 methyl nicotinate
6-methyl quinoline
 mint lactone
 paprika oleoresin
 phenyl acetic acid
ketoisophorone
 propenyl guaethol
 saffron indenone
 saffron resinoid
 safranal
 theaspirane
 tobacco butenal
 tobacco concrete
 tobacco cyclohexenone
 tobacco dodecane
 tobacco flower absolute
 tobacco leaf absolute
 tobacco nonene
 tobacco notes
 tonka undecanone
 woodruff absolute
 woody dioxolane
 woody ether

(odor and/or flavor) used in :
 beeswax cire d'abeille
 broom genet genista
 capsicum
 chestnut blossom
 cigar box
 deertongue
 fig
 hay new mown hay foin coupe
 leather russian leather
 mate
 nut
 nut almond
 nut cashew
 nut filbert
 nut hazelnut
 nut macadamia
 nut peanut
 nut peanut butter
 nut pecan
 nut pistachio
 nut roasted
 nut sesame
 nut walnut
 praline
 tobacco tabac tabaco
 tobacco tabac tabaco flower
 tobacco tabac tabaco leaf
 woodruff asperula

natural occurrence in :
beef boiled beef
oatmeal
sesame seed



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