2-acetyl-3,4,5,6-tetrahydropyridine
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IUPAC name :1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone
InChI :InChI=1/C7H11NO/c1-6(9)7-4-2-3-5-8-7/h2-5H2,1H3
InChIKey :GNZWXNKZMHJXNU-UHFFFAOYAY
SMILES :CC(=O)C1=NCCCC1
cas number :27300-27-2
fl. number :14.079
molar refractivity :35.97 ± 0.5 cm3
parachor :287.7 ± 8.0 cm3
index of refraction :1.524 ± 0.05
surface tension :35.8 ± 7.0 dyne/cm
density :1.06 ± 0.1 g/cm3
polarizability :14.26 ± 0.5 10-24cm3
XlogP : 0.30
XlogP3-AA : -0.10
molecular weight : 125.1683400 (IUPAC)
formula :C7 H11 N O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Nanjing :1-(3,4,5,6-tetrahydro-pyridin-2-yl)-ethanone
orders in chinese.

organoleptics :
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in propylene glycol.  
roasted caramel bready

properties :
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 200.00 to 203.00 °C. @ 760.00 mm Hg
flash point : 171.00  °F.  TCC  ( 77.22 °C. )
logP (o/w) : -0.71

safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :flavoring agents
 
recommendation for 2-acetyl-3,4,5,6-tetrahydropyridine fragrance usage levels up to :
 not for fragrance use.

safety references :
EPI System :view
 
 
 
 
1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone
chemidplus :27300-27-2
EPA Substance Registry Services :27300-27-2

references :
 
1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone
fl. number :14.079
NIST Chemistry WebBook :175904866
pubchem :10516535
Flavornet :27300-27-2

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
1-(3,4,5,6-tetrahydro-2-pyridinyl) ethanone
1-(3,4,5,6-tetrahydropyridin-2-yl)ethanone
1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone

soluble in :
 alcohol

insoluble in :
 water

potential blenders :    note
 acetoinFL/FR
2-acetyl furanFL/FR
 acetyl propionylFL/FR
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
 allyl 2-furoateFL
isoamyl 3-(2-furan) propionateFL/FR
 benzyl disulfideFL
 butyl levulinateFL/FR
2-oxobutyric acidFL
gamma-butyrolactoneFL/FR
 caramel dioneFL
 caramel furanoneFL
 caramel pentadioneFL/FR
 cyclohexyl acetic acidFL
 diacetylFL
2,5-diethyl tetrahydrofuranFL
alpha,alpha-dimethyl anisyl acetoneFL/FR
2,3-dimethyl pyrazineFL/FR
 ethyl (E)-crotonateFL/FR
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 ethyl 4-pentenoateFL/FR
 ethyl cyclopentenoloneFL/FR
 ethyl maltolFL/FR
 ethyl pyruvateFL/FR
(E)-ethyl tiglateFL/FR
 ethyl vanillinFL/FR
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-oneFL
 fenugreek absoluteFL/FR
 furfuryl acetoneFL
 furfuryl alcoholFL
 furfuryl octanoateFL
 furfuryl valerateFL
 geranyl crotonateFR
gamma-heptalactoneFL/FR
3,4-hexane dioneFL/FR
5-hydroxymethyl furfuralFL
 immortelle absoluteFL/FR
 levulinic acidFL
 maltolFL/FR
 maltyl propionateFL/FR
 mango furanoneFL
 maple furanoneFL/FR
 maple lactoneFL/FR
 menthone lactoneFL/FR
 mesitene lactoneFR
3-methyl butyl 2-furyl butyrateFL
 methyl cyclopentenoloneFL/FR
5-methyl furfuralFL/FR
4-methyl-2,6-dimethoxyphenolFL/FR
 nutty cyclohexenoneFL/FR
 peanut oxazoleFL
2-pentanoyl furanFL
 rosefuranFL/FR
 shoyu furanoneFL/FR
dextro-sorbitolCS
 strawberry furanoneFL/FR
 strawberry furanone acetateFL/FR
 tetrahydrofurfuryl acetateFL/FR
 tetrahydrofurfuryl alcoholFL/FR
2-thiophene thiolFL
(E)-tiglic acidFL/FR
 toffee furanoneFL/FR
 tonka bean absoluteFR
 tonka bean resinoidFR
(E,E)-2,4-undecadien-1-alFL
2,4-undecadien-1-alFL
 vanilla oleoresinFL/FR
 vanillyl isobutyrateFL/FR

potential uses :
 bread

natural occurrence in :    note
 bread  

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