2-ethyl pyridine
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IUPAC name :2-ethylpyridine
InChI :InChI=1/C7H9N/c1-2-7-5-3-4-6-8-7/h3-6H,2H2,1H3
InChIKey :NRGGMCIBEHEAIL-UHFFFAOYAU
SMILES :CCC1=CC=CC=N1
cas number :100-71-0
(EINECS) number :202-881-9
beilstein number :0106480
coe number :11767
fl. number :14.115
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 : 1.30
molecular weight : 107.1530600 (IUPAC)
formula :C7 H9 N
BioActivity Analysis :67831
NMR Predictor :Predict
 
 
export tariff code :2933.39.4700
fda reg :unspecified

Suppliers :
Penta :2-ethyl pyridine

organoleptics :
odor strength :high ,
recommend smelling in a 0.01 % solution or less
odor description :
at 0.01 % in propylene glycol.  
green grassy

properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.92700 to 0.93700 @ 25.00 °C.
pounds per gallon - calc. : 7.714 to 7.797
refractive index :1.49400 to 1.50000 @ 20.00 °C.
boiling point : 149.00 to 151.00 °C. @ 760.00 mm Hg
vapor pressure :4.89000 mm/Hg @ 25.00 °C.
flash point : 85.00  °F.  TCC  ( 29.44 °C. )
logP (o/w) : 1.69

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 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) :0.027 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :380 (μg/person/day)
Threshold of concern :540 (μg/person/day)
Structure Class :II
 
recommendation for 2-ethyl pyridine usage levels up to :
 not for fragrance use.
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 0.100000.50000
Edible ices, including sherbet and sorbet (03.0) : 0.400002.00000
Processed fruit (04.1) : 0.400002.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 1.000005.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 0.200001.00000
Bakery wares (07.0) : 2.0000010.00000
Meat and meat products, including poultry and game (08.0) : 0.200001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 0.200001.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0) : 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : --
Ready-to-eat savouries (15.0) : 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 0.200001.00000

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
EPA Chem. Sub. Inventory : Yes
WISER :UN 1993
 
WGK Germany :3
 
 
 
 2-ethylpyridine
(EINECS) number :202-881-9
chemidplus :000100710
EPA Substance Registry Services :100-71-0
dtp/nci :964

references :
 2-ethylpyridine
fl. number :14.115
NIST Chemistry WebBook :1549806287
pubchem :150600

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
alpha-ethyl pyridine
2-ethylpyridine

soluble in :
 alcohol
 water, 340000 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) blends with :
2-acetyl-2-thiazoline
 allyl amyl glycolate
 allyl butyrate
isoamyl benzoate
isoamyl butyrate
isoamyl formate
isoamyl heptanoate
isoamyl isovalerate
isoamyl octanoate
 bark carbaldehyde
 butyl heptanoate
 butyl isobutyrate
isobutyl propionate
sec-butyl-3-methyl but-2-ene thioate
 cedarwood oil lebanon
 cherry pentenoate
 citronella oil
 citronellal / methyl anthranilate schiff's base
beta-cyclocitral
2-cyclopentyl cyclopentanone
alpha-decalactone
 dibutyl sulfide
 diethyl malonate
2,6-dimethyl octanal
2,5-dimethyl pyrazine
 dimethyl succinate
3,7-dimethyl-6-octenoic acid
(E,E)-2,4-dodecadien-1-ol
 ethyl (E)-2-octenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-octenoate
 ethyl 3-acetoxyhexanoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetoacetate
 furfuryl propionate
3-(2-furyl) acrolein
 green hexanal
 heptanal cyclic ethylene acetal
2-heptanol
(Z)-3-hepten-1-ol
3-hepten-2-one
2-heptenoic acid
 heptyl heptanoate
 hexanal
 hexanal dihexyl acetal
(Z)-3-hexen-1-al
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
2-hexen-1-ol
(E)-3-hexen-1-yl acetate
(E)-2-hexen-1-yl formate
(Z)-3-hexen-1-yl formate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(Z)-3-hexenoic acid
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl acetate
 hexyl octanoate
 lilac acetaldehyde
 melon valerate
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-undecynoate
2-methyl butyl 2-methyl butyrate
 methyl heptanoate
3-(methyl thio) hexanal
2-methyl valeraldehyde
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
2-methyl-2-penten-1-al
3-methyl-3-pentanol
 muguet shiseol
 nerolidyl isobutyrate
(E,E)-3,5-octadien-2-one
 octen-1-yl cyclopentanone
 octyl 2-methyl butyrate
 octyl butyrate
2-pentyl furan
 perillaldehyde
laevo-perillaldehyde
 phenoxyethyl isobutyrate
 pineapple pentenoate
 prenol
 prenyl ethyl ether
 prenyl hexanoate
isopropyl 2-methyl butyrate
 rhubarb undecane
 tetrahydrofurfuryl butyrate
 timber dioxolane
3,5,5-trimethyl hexanol
 tropical indene
 tropical thiazole
 violet dienyne

natural occurrence in :
asparagus - trace amount
pork - 0.0001 mg/kg



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