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Compound Summary

General Compound Information

Caprolactam

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Description

Epsilon-caprolactam is a member of the class of caprolactams that is azepane substituted by an oxo group at position 2. It has a role as a human blood serum metabolite.

Synonyms

azepan-2-one; CAPROLACTAM; epsilon-Caprolactam; 105-60-2; 6-Caprolactam;

2-Oxohexamethylenimine;Aminocaproic lactam;2H-Azepin-2-one, hexahydro-;Hexahydro-2H-azepin-2-one;2-Azacycloheptanone;6-Hexanelactam;2-Oxohexamethyleneimine;Hexanolactam;2-Perhydroazepinone;Hexahydro-2-azepinone;1,6-Hexolactam;Hexanone isoxime;Caprolattame;Hexanonisoxim;2-Ketohexamethylenimine;Cyclohexanone iso-oxime;1-Aza-2-cycloheptanone;E-Caprolactam;6-Aminocaproic acid lactam;Caprolactam monomer;Epsylon kaprolaktam;2-Ketohexamethyleneimine;Extrom 6N;Kaprolaktam;Kapromine;Stilon;hexannic acid;e-Kaprolaktam;Hexamethylenimine, 2-oxo-;6-Aminohexanoic acid cyclic lactam;1,6-Hexalactam;Capron PK4;2H-Azepin-7-one, hexahydro-;Perhydroazepin-2-one;.epsilon.-Caprolactam;E-caprolactum;gamma-caprolactam;omega-caprolactum;Hexanoic acid, 6-amino-, lactam;.omega.-Caprolactam;NCI-C50646;Aza-2-cycloheptanone;Hexanoic acid, 6-amino-, cyclic lactam;2H-azepin-7-one,hexahydro;A1030;cis-Hexahydro-2-azepinone;hexanoic acid-6-amino-,lactam;9012-16-2;DTXSID4020240;CHEBI:28579;2-Azepinone, hexahydro-, (Z)-;Cyclohexanoneisooxime;NSC-117393;Hexanoic acid, lactam;WLN: T7MVTJ;6879X594Z8;Hexanoic acid, cyclic lactam;DTXCID00240;HEXANOIC ACID,6-AMINO,LACTAM E-CAPROLACTAM;Caprolattame [French];e-Kaprolaktam [Czech];Hexanonisoxim [German];Epsylon kaprolaktam [Polish];CAS-105-60-2;CCRIS 119;HSDB 187;hexahydroazepin-2-one;EINECS 203-313-2;MFCD00006936;Caprolactam dust and vapor;NSC 117393;BRN 0106934;caprolactim;Alkamid;Chemlon;Danamid;Kaprolit;Kaprolon;Metamid;Orgamide;Steelon;Akulon;Capron;Grilon;Itamid;Kapron;Stylon;Vidlon;Widlon;Orgamid rmnocd;Durethan bk;Ultramid bmk;6-hexanolactam;AI3-14515;Tarlon xb;Caprolon B;Caprolon V;Kaprolit B;Kaprolon B;Renyl mv;Tarnamid T;hexano-6-lactam;Itamide S;2-Azepanone;Capron B;Ertalon 6sa;Kapron A;Kapron B;Caprolactam,(S);Relon P;epsilon caprolactam;UNII-6879X594Z8;Durethan bk 30S;Tarlon X-A;Tarnamid T 2;Ultramid B 3;Ultramid B 4;Ultramid B 5;2-Azepanone #;Durethan bkv 30H;Durethan bkv 55H;Itamide 25;Itamide 35;Miramid H 2;Miramid wm 55;Torayca N 6;epsilon -caprolactam;epsilon-?Caprolactam;Lactam, aminocaproic;Tarnamid T 27;azacycloheptan-2-one;Capran 77C;Capran 80;Plaskon 8201hs;Plaskon xp 607;Itamide 250;Itamide 250G;Itamide 350;Plaskon 201;Spencer 401;Spencer 601;azacycloheptane-2-one;Sipas 60;Itamid 250;Maranyl F 114;Maranyl F 124;Maranyl F 500;Nylon A1035sf;Plaskon 8202C;Capron gr 8256;Capron gr 8258;Plaskin 8200;Plaskon 8201;Plaskon 8205;Plaskon 8207;Plaskon 8252;Capron 8250;Capron 8252;Capron 8253;Capron 8256;Capron 8257;Nylon cm 1031;Zytel 211;Amilan CM 1001C;Amilan CM 1001G;Amilan CM 1001;Amilan CM 1011;CAPROLACTAM [MI];Dull 704;Nylon X 1051;CAPROLACTAM [HSDB];CAPROLACTAM [IARC];ATM 2(NYLON);bmse000372;epsilon-Caprolactam, 99%;EC 203-313-2;6-Aminohexanoic acid lactam;hexahydro 2H Azepin 2 one;SCHEMBL19610;CAPROLACTAM [USP-RS];hexanoic acid-6-amino-lactam;5-21-06-00444 (Beilstein Handbook Reference);CHEMBL276218;PK 4;FEMA NO. 4235;NIOSH/CM3900000;1,6-HEXALACTAM [FHFI];UBE 1022B;NSC4977;NSC-4977;NSC25536;STR02412;ZINC5133576;Tox21_202202;Tox21_300163;c0432;MFCD19226350;NSC-25536;NSC117393;STK378587;AKOS000119969;CM 1001;CM 1011;CM 1031;CM 1041;epsilon-Caprolactam, analytical standard;NCGC00247913-01;NCGC00247913-02;NCGC00253933-01;NCGC00259751-01;AM802872;DB-003880;DB-032192;CM39000000;FT-0623443;FT-0625676;EN300-19667;A23500;C06593;D70254;ZINC ACEXAMATE IMPURITY D [EP IMPURITY];Q409397;J-510225;F0001-0110;

FlavorDB ID

8 PUBCHEM ID

Molecular Weight

113.16 Molecular Formula

C6H11NO

Openeye Can Smiles

C1CCC(=O)NCC1

IUPAC Inchikey

JBKVHLHDHHXQEQ-UHFFFAOYSA-N

Network

Similarity

Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database

Food Additive Safety (OFAS)
CAPROLACTAM is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.

EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: 1,6-Hexalactam

Reference point : Defined point on an experimental dose–response relationship for the critical effect. This term is synonymous to Point of departure (USA). Reference points include the lowest or no observed adverse effect level (LOAEL/NOAEL) or benchmark dose lower confidence limit (BDML), used to derive a reference value or Margin of Exposure in human and animal health risk assessment. In the ecological area, these include lethal dose (LD50), effect concentration (EC5/ECx), no (adverse) effect concentration/dose (NOEC/NOAEC/NOAED), no (adverse) effect level (NEL/NOAEL), hazard concentration (HC5/HCx) derived from a Species Sensitivity Distributions (SSD) for the ecosystem (EFSA Scientific Committee,2018). Citation: DOI 10.5281/zenodo.4740174

Output ID	SPECIES	Route	Duration Days	END POINT	QUALIFIER	VALUE	UNIT	EFFECT	Toxicity
2263	Rat	oral: feed	90	NOEL	=	750	mg/kg bw/day	not reported	not reported
2080	Rat	oral: feed	90	NOEL	=	750	mg/kg bw/day	not reported	not reported

Reference Value

Reference Value : The estimated maximum dose (on a body mass basis) or the concentration of an agent to which an individual may be exposed over a specified period without appreciable risk. Reference values are established by applying an uncertainty factor to the reference point. Examples of reference values in human health include acceptable daily intake (ADI) for food and feed additives, and pesticides, tolerable upper intake levels (UL) for vitamins and minerals, and tolerable daily intake (TDI) for contaminants and food contact materials. For acute effects and operators, the acute reference dose (ARfD) and the acceptable operator exposure level (AOEL). In animal health and the ecological area, these include safe feed concentrations and the Predicted no effect concentration (PNEC) respectively (EFSA Scientific Committee, 2018). Citation: DOI 10.5281/zenodo.4740174

OUTPUT ID	ASSESSMENT	QUALIFIER	VALUE	UNIT	POPULATION
2601	TTC Cramer Class III	=	1.5	µg/kg bw/day	Consumers

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA AFC	2008	2263	Not determined
EFSA CEF	2011	2080	Not determined
EFSA CEF	2015	2601	Not determined

EFSA Outputs

Output ID	Title	DOI	Published
2080	Scientific Opinion on Flavouring Group Evaluation 86, Revision 1 (FGE.86Rev1): Consideration of aliphatic and aromatic amines and amides evaluated by JECFA (65th meeting).	doi:10.2903/j.efsa.2011.1926	01Apr2011
2263	Flavouring Group Evaluation 86, (FGE.86): 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	doi:10.2903/j.efsa.2008.745	28Nov2008
2601	Scientific Opinion on Flavouring Group Evaluation 86, Revision 2 (FGE.86Rev2): Consideration of aliphatic and arylalkyl amines and amides evaluated by JECFA (65th meeting)	doi:10.2903/j.efsa.2015.3998	20Jan2015

Receptors

Receptor	REFERENCE	EC50 [µM]	Effective Concentration [µM]
TAS2R38	details	Activated

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive

Content

Compound Summary

Caprolactam

Description

Epsilon-caprolactam is a member of the class of caprolactams that is azepane substituted by an oxo group at position 2. It has a role as a human blood serum metabolite.

Synonyms

azepan-2-one; CAPROLACTAM; epsilon-Caprolactam; 105-60-2; 6-Caprolactam;

FlavorDB ID

8

PUBCHEM ID

7768

Molecular Weight

113.16

Molecular Formula

C6H11NO

Openeye Can Smiles

C1CCC(=O)NCC1

IUPAC Inchikey

JBKVHLHDHHXQEQ-UHFFFAOYSA-N

Network

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Similarity

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Content

Compound Summary

Caprolactam

Description

Epsilon-caprolactam is a member of the class of caprolactams that is azepane substituted by an oxo group at position 2. It has a role as a human blood serum metabolite.

Synonyms

azepan-2-one; CAPROLACTAM; epsilon-Caprolactam; 105-60-2; 6-Caprolactam;

FlavorDB ID

8

PUBCHEM ID

7768

Molecular Weight

113.16

Molecular Formula

C6H11NO

Openeye Can Smiles

C1CCC(=O)NCC1

IUPAC Inchikey

JBKVHLHDHHXQEQ-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

OpenFoodTox: component 1,6-Hexalactam

Reference Details

GC-MS Spectrum