epsilon-caprolactam 105-60-2

epsilon-caprolactam

Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).

IUPAC name :

azepan-2-one

InChI :

InChI=1/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)

InChIKey :

JBKVHLHDHHXQEQ-UHFFFAOYAF

SMILES :

C1CCC(=O)NCC1

(EINECS) number :	203-313-2
cas number :	105-60-2
beilstein number :	0106934
fema number :	4235
jecfa number :	1594
fl. number :	16.052
molar refractivity :	31.14 ± 0.3 cm3
parachor :	274.1 ± 6.0 cm3
index of refraction :	1.446 ± 0.02
surface tension :	30.4 ± 3.0 dyne/cm
density :	0.969 ± 0.06 g/cm3
polarizability :	12.34 ± 0.5 10-24cm3
xlogp :	0.40
molecular weight :	113.1576400
formula :	C6 H11 N O
BioActivity Analysis :	71169

export tariff code :

2933.71.0000

fda reg :

unspecified

Suppliers :

Sigma-Aldrich-SAFC :

epsilon-Caprolactam

99%

organoleptics :

odor type :

spicy

odor strength :

high ,
recommend smelling in a 0.01 % solution or less

odor description :
at 0.01 % in propylene glycol.

amine spicy

properties :

appearence :

pale yellow solid

assay :

97.00 - 100.00 %

Food Chemicals Codex Listed :

melting point :

69.00 - 70.00 °C. @ 760.00 mm Hg

boiling point :

270.00 - 272.00 °C. @ 760.00 mm Hg

boiling point :

136.00 - 139.00 °C. @ 10.00 mm Hg

logp :

0.66

safety :

most important hazard(s) :

T+ - Very toxic.

Oral Toxicity(LD50) :

Oral-Rat 1210.00 mg/kg

Dermal Toxicity(LD50) :

Skin-Rabbit 1410.00 ul/kg

flash point ( Deg. F. ) :

278.00 °F. TCC ( 136.67 °C. )

recommendation for epsilon-caprolactam 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.

4235

average usual ppm

average maximum ppm

baked goods :

1.00000

5.00000

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 :

203-313-2

rtecs :

CM3675000 for 105-60-2

chemidplus :

000105602

epa-srs :

105-60-2

dtp/nci :

4977

other :

references :

jecfa number :

1594

fl. number :

16.052

pubchem :

150859

synonyms :
	aminocaproic lactam
6-	aminohexanoic acid cyclic lactam
	azepan-2-one
6-	caprolactam
epsilon-	caprolactam
omega-	caprolactam
1-aza-2-	cycloheptanone
2-aza	cycloheptanone
	hexahydro-2-azepinone
	hexahydro-2H-azepin-2-one
1,6-	hexalactam
2-keto	hexamethylenimine
2-oxo	hexamethylenimine
6-	hexanelactam
	hexano-6-lactam
1,6-	hexolactam
2-per	hydrazepinone
per	hydroazepin-2-one
soluble in :
	propylene glycol
	water, 772000 mg/L @ 10C
(odor and/or flavor) used in :
	cereal
	cheese
	dairy
	fish
	fruit
	meat
natural occurrence in :
	not found in nature

information only - not sold by The Good Scents Company.

Top of Page The Good Scents Company Home