3-ethyl pyridine
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IUPAC name :3-ethylpyridine
InChI :InChI=1/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3
InChIKey :MFEIKQPHQINPRI-UHFFFAOYAR
SMILES :CCC1=CN=CC=C1
cas number :536-78-7
(EINECS) number :208-647-2
beilstein number :0106479
fema number :3394
coe number :11386
jecfa number :1315
fl. number :14.061
molar refractivity :33.89 ± 0.3 cm3
parachor :278.0 ± 4.0 cm3
index of refraction :1.498 ± 0.02
surface tension :33.6 ± 3.0 dyne/cm
density :0.927 ± 0.06 g/cm3
polarizability :13.43 ± 0.5 10-24cm3
XlogP : 1.50
molecular weight : 107.1530600
formula :C7 H9 N
NMR Predictor :Predict
 
 
export tariff code :2933.39.9050
fda reg :unspecified

Suppliers :
Cargill - Alfrebro :3-ETHYL PYRIDINE
Kosher
Endeavour :3-Ethylpyridine
99%
Penta :3-ethyl pyridine
Sigma-Aldrich-SAFC :3-Ethylpyridine
≥98%, Kosher, FG
Odor:  caramel; musty; smoky; peanut; coffee; tobacco; earthy; vegetable; meaty
Treatt :3-Ethylpyridine

organoleptics :
odor type :tobacco
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
tobacco oakmoss leather

properties :
appearence :brownish clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.95100 to 0.95700 @ 25.00 °C.
pounds per gallon - calc. : 7.913 to 7.963
refractive index :1.49900 to 1.50500 @ 20.00 °C.
boiling point : 162.00 to 165.00 °C. @ 762.00 mm Hg
vapor pressure :2.53000 mm/Hg @ 25.00 °C.
flash point : 121.00  °F.  TCC  ( 49.44 °C. )
logP (o/w) : 1.72

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 36/37/39 - Wear suitable clothing, 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) :9.40 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :3.00 (μg/capita/day)
 
recommendation for 3-ethyl pyridine usage levels up to :
 not for fragrance use.
recommendation for 3-ethyl pyridine usage levels up to :
  0.0600 ppm in the flavor.

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
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1993
 
WGK Germany :3
 
 
 
 3-ethylpyridine
(EINECS) number :208-647-2
chemidplus :000536787
EPA Substance Registry Services :536-78-7

references :
 3-ethylpyridine
fl. number :14.061
jecfa number :1315
NIST Chemistry WebBook :2525076473
pubchem :154132

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
beta-ethyl pyridine
3-ethylpyridine
beta-lutidine

soluble in :
 alcohol
 water, 370000 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) blends with :
2-acetyl pyridine
 algae absolute
 amber decatriene
 ambrette seed absolute
alpha-amyl cinnamyl acetate
alpha-amyl cinnamyl isovalerate
 amyl phenyl acetate
 beeswax absolute
 boronia butenal
 bran absolute
4-tert-butyl phenol
2-isobutyl quinoline
isobutyl quinoline
isobutyl quinoline
6-tert-butyl-meta-cresol
 cananga fruit oil
 cananga leaf oil
 cananga oil
 cananga oil china
 capsicum oleoresin
 castoreum absolute
alpha-cedrene epoxide
 chamomile flower oil germany
 citronellol
(±)-citronellol
para-cresyl isovalerate
 cuminyl alcohol
 cyclohexanone diethyl acetal
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
delta-damascone
 deertongue absolute
N,N-diethyl octanamide
2,6-dimethoxy-4-vinyl phenol
 dimethyl octanol
2,3-dimethyl pyrazine
 ethyl 3-hydroxyhexanoate
 fig leaf absolute
 floral methanol
2-furfurylidene butyraldehyde
 genet absolute
 hay absolute
gamma-hexalactone
2'-hydroxyacetophenone
 leather cyclohexanol
 leather propionate
isolongifolene ketone
 lovage root oil
 marine pyridine
 mate absolute
 methyl 2-furoate
 methyl benzoxole
 methyl cedryl ketone
 methyl delta-ionone
4-methyl guaiacol
 methyl nicotinate
6-methyl quinoline
 mint lactone
 oakmoss oil
 oakmoss phenol
 orris pyridine
 osmanthus absolute
 paprika oleoresin
 phenoxyacetaldehyde 50% in benzyl alcohol
 phenyl acetic acid
ketoisophorone
 propenyl guaethol
2-propyl pyridine
 saffron indenone
 saffron resinoid
 safranal
 theaspirane
 thyme undecane
 tobacco butenal
 tobacco cyclohexenone
 tobacco dodecane
 tobacco flower absolute
 tobacco leaf absolute
 tobacco nonene
 tonka undecanone
 verymoss
 woodruff absolute
 woody dioxolane
 woody ether

(odor and/or flavor) used in :
 fern fougere
 leather
 oakmoss mousse de chene
 tobacco tabac tabaco

natural occurrence in :
bonito dried bonito
chicken cooked chicken
coffee
krill
tea
tobacco virginia tobacco



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