2-methyl piperidine

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IUPAC name :

2-methylpiperidine

InChI :

InChI=1/C6H13N/c1-6-4-2-3-5-7-6/h6-7H,2-5H2,1H3

InChIKey :

NNWUEBIEOFQMSS-UHFFFAOYAZ

SMILES :

CC1CCCCN1

(EINECS) number :	203-642-1
cas number :	109-05-7
beilstein number :	0079804
fema number :	4244
jecfa number :	1608
fl. number :	14.133
molar refractivity :	31.11 ± 0.3 cm3
parachor :	272.3 ± 4.0 cm3
index of refraction :	1.421 ± 0.02
surface tension :	24.4 ± 3.0 dyne/cm
density :	0.809 ± 0.06 g/cm3
polarizability :	12.33 ± 0.5 10-24cm3
xlogp :	1.10
molecular weight :	99.1741200
formula :	C6 H13 N
BioActivity Analysis :	90104

fda reg :

unspecified

h. number :

unspecified

organoleptics :

odor type :

seafood

odor strength :

high ,
recommend smelling in a 1.00 % solution or less

odor description¹ :
at 1.00 % in propylene glycol.

amine fishy seafood taco corn chip

taste description² :

at 5.00 ppm in water.
amine creamy taco lettuce

substantivity :

2 hour(s) at 1.00 % in propylene glycol

properties :

appearence :

colorless to pale yellow clear liquid

assay :

98.00 - 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.83800 - 0.84400 @ 25.00 °C.

pounds per gallon - calc. :

6.973 to 7.023

refractive index :

1.44200 - 1.44800 @ 20.00 °C.

boiling point :

117.00 - 119.00 °C. @ 760.00 mm Hg

logp :

1.61

safety :

most important hazard(s) :

Xn - Harmful.

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

50.00 °F. TCC ( 10.00 °C. )

recommendation for 2-methyl piperidine 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).

publication number : 22.

4244

average usual ppm

average maximum ppm

baked goods :

2.00000

10.00000

beverages(nonalcoholic) :

beverages(alcoholic) :

breakfast cereal :

0.20000

1.00000

cheese :

0.40000

2.00000

chewing gum :

condiments / relishes :

0.10000

0.50000

confectionery froastings :

1.00000

5.00000

egg products :

fats / oils :

0.10000

0.50000

fish products :

0.20000

1.00000

frozen dairy :

0.40000

2.00000

fruit ices :

0.40000

2.00000

gelatins / puddings :

granulated sugar :

gravies :

hard candy :

imitation dairy :

instant coffee / tea :

jams / jellies :

meat products :

0.20000

1.00000

milk products :

0.40000

2.00000

nut products :

other grains :

0.20000

1.00000

poultry :

0.20000

1.00000

processed fruits :

0.40000

2.00000

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

0.10000

0.50000

snack foods :

1.00000

5.00000

soft candy :

soups :

0.10000

0.50000

sugar substitutes :

sweet sauces :

safety links :

(EINECS) number :

203-642-1

rtecs :

TN1240000 for 109-05-7

chemidplus :

000109057

epa-srs :

109-05-7

dtp/nci :

31047

other :

references :

pubchem :

151088

NIST Chemistry WebBook :

3695703607

reference :

Luebke, William tgsc, (2006)¹

reference :

Luebke, William tgsc, (2006)²

synonyms :
(±)-2-	methyl piperidine
(R,S)-2-	methyl piperidine
2-	methyl piperidine
alpha-	methyl piperidine
dextro,laevo-2-	methyl piperidine
(±)-alpha-	pipecoline
2-	pipecoline
alpha-	pipecoline
soluble in :
	alcohol
	propylene glycol
	water, 50900 mg/L @ 25C
(odor and/or flavor) used in :
	cereal
	cheese
	corn chip
	fish
	seafood
natural occurrence in :
	not found in nature

information only - not sold by The Good Scents Company.

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