epsilon-caprolactam, 105-60-2

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CODE124268 CODE124268
Product(s):
105-60-2 Caprolactam 95%

Penta International Corporation

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For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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CODE124268 CODE124268
Product(s):
08-21580 1,6-HEXALACTAM

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CODE124268 CODE124268
Product(s):
C0022 epsilon-Caprolactam Zone Refined (number of passes:24)
SDS

CAS Number:	105-60-2	3D/inchi
Other(deleted CASRN):	117955-36-9
ECHA EINECS - REACH Pre-Reg:	203-313-2
FDA UNII:	6879X594Z8
Nikkaji Web:	J3.605F
Beilstein Number:	0106934
MDL:	MFCD00006936
XlogP3:	-0.10 (est)
Molecular Weight:	113.15987000
Formula:	C6 H11 N O
BioActivity Summary:	listing
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:food contact resinous and polymeric coatings

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Perfumer and Flavorist:	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search
JECFA Food Flavoring:	1594 1,6-hexalactam
DG SANTE Food Flavourings:	16.052 1,6-hexalactam
DG SANTE Food Contact Materials:	1,6-hexalactam
FEMA Number:	4235 1,6-hexalactam
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	105-60-2 ; CAPROLACTAM
FDA Regulation:
FDA PART 176 -- INDIRECT FOOD ADDITIVES: PAPER AND PAPERBOARD COMPONENTS Subpart B--Substances for Use Only as Components of Paper and Paperboard Sec. 176.180 Components of paper and paperboard in contact with dry food. FDA PART 177 -- INDIRECT FOOD ADDITIVES: POLYMERS Subpart B--Substances for Use as Basic Components of Single and Repeated Use Food Contact Sec. 177.1200 Cellophane. FDA PART 177 -- INDIRECT FOOD ADDITIVES: POLYMERS Subpart B--Substances for Use as Basic Components of Single and Repeated Use Food Contact Sec. 177.1500 Nylon resins.

Physical Properties:

Appearance:	pale yellow solid (est)
Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Melting Point:	69.00 to 70.00 °C. @ 760.00 mm Hg
Boiling Point:	270.00 °C. @ 760.00 mm Hg
Boiling Point:	136.00 to 139.00 °C. @ 10.00 mm Hg
Vapor Pressure:	0.008000 mmHg @ 25.00 °C.
Flash Point:	278.00 °F. TCC ( 136.67 °C. )
logP (o/w):	-0.039 (est)
Soluble in:
	propylene glycol
	water, 7.72E+05 mg/L @ 10 °C (exp)

Organoleptic Properties:

Odor Description:at 0.01 % in propylene glycol. amine spicy

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

For experimental / research use only.

epsilon-Caprolactam analytical standard

SysKem Chemie

Caprolactam

TCI AMERICA

For experimental / research use only.

epsilon-Caprolactam Zone Refined (number of passes:24)

sds

Safety Information:

Preferred SDS: View
European information :
Most important hazard(s):
T+ - Very toxic.
R 20/22 - Harmful by inhalation and if swallowed. R 23/25 - Toxic by inhalation and if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 03/07 - Keep container tightly closed in cool place. S 04 - Keep away from living quarters. S 22 - Do not breath dust. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 27 - Take off immediately all contaminated clothing. S 28 - After contact with skin, wash immediately with plenty of water. S 29/56 - Do not empty into drains, dispose of this material and its container to hazardous or special waste collection point. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately. S 46 - If swallowed, seek medical advice immediately and show this container or label.

Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 1210 mg/kg BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE National Toxicology Program Technical Report Series. Vol. NTP-TR-214, Pg. 1982 oral-mouse LD50 930 mg/kg LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(10), Pg. 54, 1966. intravenous-mouse LD50 480 mg/kg IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. Vol. 39, Pg. 247, 1986. intraperitoneal-mouse LD50 650 mg/kg BEHAVIORAL: ANTIPSYCHOTIC BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ANALGESIA Journal of Pharmaceutical Sciences. Vol. 60, Pg. 1058, 1971. unreported-mouse LD50 930 mg/kg KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(10), Pg. 33, 1990. intravenous-rabbit LD > 300 mg/kg GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD British Journal of Industrial Medicine. Vol. 11, Pg. 1, 1954. unreported-rabbit LD50 1000 mg/kg KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(10), Pg. 33, 1990. unreported-rat LD50 580 mg/kg BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(10), Pg. 33, 1990. intraperitoneal-rat LDLo 800 mg/kg GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD British Journal of Industrial Medicine. Vol. 11, Pg. 1, 1954.
Dermal Toxicity:
skin-rabbit LD50 1410 ul/kg American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. skin-rat LD50 > 2000 mg/kg National Technical Information Service. Vol. OTS0557720 subcutaneous-mouse LD50 750 mg/kg IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. Vol. 39, Pg. 247, 1986. subcutaneous-frog LDLo 2800 mg/kg BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 50, Pg. 199, 1903. subcutaneous-guinea pig LDLo 950 mg/kg Medicina del Lavoro. Industrial Medicine. Vol. 43, Pg. 124, 1952.
Inhalation Toxicity:
inhalation-rat LC50 300 mg/m3/2H "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 32, 1982. inhalation-mouse LC50 450 mg/m3 BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(10), Pg. 54, 1966. inhalation-human TCLo 100 ppm LUNGS, THORAX, OR RESPIRATION: COUGH American Industrial Hygiene Association Journal. Vol. 34, Pg. 384, 1973.

Safety in Use Information:

Category:
food contact resinous and polymeric coatings
Recommendation for epsilon-caprolactam usage levels up to:
	not for fragrance use.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA):		0.002 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI):		200 (μg/person/day)
Threshold of Concern:		90 (μg/person/day)
Structure Class:		III
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).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 22. Update in publication number(s): 29
Click here to view publication 22
		average usual ppm	average maximum ppm
baked goods:		5.00000	20.00000
beverages(nonalcoholic):		5.00000	20.00000
beverages(alcoholic):		5.00000	20.00000
breakfast cereal:		5.00000	20.00000
cheese:		5.00000	20.00000
chewing gum:		50.00000	200.00000
condiments / relishes:		5.00000	20.00000
confectionery froastings:		10.00000	40.00000
egg products:		5.00000	20.00000
fats / oils:		5.00000	20.00000
fish products:		5.00000	20.00000
frozen dairy:		5.00000	20.00000
fruit ices:		5.00000	20.00000
gelatins / puddings:		5.00000	20.00000
granulated sugar:		-	-
gravies:		5.00000	20.00000
hard candy:		10.00000	40.00000
imitation dairy:		5.00000	20.00000
instant coffee / tea:		5.00000	20.00000
jams / jellies:		10.00000	40.00000
meat products:		0.20000	1.00000
milk products:		5.00000	20.00000
nut products:		5.00000	20.00000
other grains:		5.00000	20.00000
poultry:		5.00000	20.00000
processed fruits:		0.40000	2.00000
processed vegetables:		-	-
reconstituted vegetables:		5.00000	20.00000
seasonings / flavors:		5.00000	20.00000
snack foods:		5.00000	20.00000
soft candy:		10.00000	40.00000
soups:		5.00000	20.00000
sugar substitutes:		-	-
sweet sauces:		5.00000	20.00000

Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 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 (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
		average usage mg/kg	maximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0):		0.40000	2.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0):		0.10000	0.50000
Edible ices, including sherbet and sorbet (03.0):		0.40000	2.00000
Processed fruit (04.1):		0.40000	2.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2):		-	-
Confectionery (05.0):		1.00000	5.00000
Chewing gum (05.3):		-	-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0):		0.20000	1.00000
Bakery wares (07.0):		1.00000	5.00000
Meat and meat products, including poultry and game (08.0):		0.10000	0.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0):		0.10000	0.40000
Eggs and egg products (10.0):		-	-
Sweeteners, including honey (11.0):		-	-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0):		0.10000	0.50000
Foodstuffs intended for particular nutritional uses (13.0):		0.20000	1.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1):		-	-
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2):		1.00000	5.00000
Ready-to-eat savouries (15.0):		1.00000	5.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0):		0.20000	1.00000

Safety References:

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 86, (FGE.86)[1] - Consideration of aliphatic and aromatic amines and amides evaluated by JECFA (65th meeting) - Scientific Opinion of the Panel on Food Additives - Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 86, Revision 1 (FGE.86Rev1): Consideration of aliphatic and aromatic amines and amides evaluated by JECFA (65th meeting)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 86, Revision 2 (FGE.86Rev2): Consideration of aliphatic and arylalkyl amines and amides evaluated by JECFA (65th meeting)
View page or View pdf

EPI System: View

EPA-Iris:IRIS

NIOSH International Chemical Safety Cards:search

NIOSH Pocket Guide:search

Chemical Carcinogenesis Research Information System:Search

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

Carcinogenic Potency Database:Search

EPA GENetic TOXicology:Search

EPA Substance Registry Services (TSCA):105-60-2

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :7768

National Institute of Allergy and Infectious Diseases:Data

WISER:UN 2811

WGK Germany:1

azepan-2-one

Chemidplus:0000105602

EPA/NOAA CAMEO:hazardous materials

RTECS:105-60-2

References:

	azepan-2-one
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	105-60-2
Pubchem (cid):	7768
Pubchem (sid):	134971171

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):	View
FDA Indirect Additives used in Food Contact Substances:	View
CHEBI:	View
CHEMBL:	View
Metabolomics Database:	Search
UM BBD:	Search
KEGG (GenomeNet):	C06593
HMDB (The Human Metabolome Database):	Search
FooDB:	FDB009075
Export Tariff Code:	2933.71.0000
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View
Formulations/Preparations: flake; molten

Potential Blenders and core components note

None Found

Potential Uses:

FL	cereal
FL	cheese
FL	dairy
FL	fish
FR	fruit
FL	meat

Occurrence (nature, food, other):note

sunflower sprout
Search Trop Picture

Synonyms:

6-	amino-hexanoic acid lactam
6-	aminocaproic acid lactam
	aminocaproic lactam
6-	aminohexanoic acid cyclic lactam
	azepan-2-one
2-	azepanone
2H-	azepin-2-one, hexahydro-
1,6-	caprolactam
6-	caprolactam
omega-	caprolactam
epsilon-	caprolactam zone refined (number of passes:24)
	capron PK4
1-aza-2-	cycloheptanone
2-aza	cycloheptanone
	hexahydro-2-azepinone
	hexahydro-2H-azepin-2-one
1,6-	hexalactam
2-keto	hexamethyleneimine
2-oxo	hexamethyleneimine
2-keto	hexamethylenimine
2-oxo	hexamethylenimine
	hexamethylenimine, 2-oxo-
6-	hexanelactam
	hexano-6-lactam
	hexanoic acid, 6-amino-, cyclic lactam
1,6-	hexolactam
	hxanoic acid, 6-amino-, lactam
2-per	hydrazepinone
per	hydroazepin-2-one
	kaprolaktam
	kapromine

Articles:

Info:aliphatic and aromatic amines and amides

PubMed:[Migration of monomers and primary aromatic amines from nylon products].

PubMed:Determination of potential migrants present in Nylon 'microwave and roasting bags' and migration into olive oil.

PubMed:[Determination of epsilon-caprolactam in food media by thin-layer chromatography].

Notes:

cyclic amide of caproic acid used in manufacture of synthetic fibers of the polyamide type. can cause local irritation.

epsilon-caprolactam 1,6-hexalactam

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