| 2D: |  |
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| 3D: | |
| CAS Number: | 105-60-2 |
| ECHA EC Number: | 203-313-2 |
| FDA UNII: | 6879X594Z8 |
| Category: | food contact resinous and polymeric coatings |
| IUPAC Name: | epsilon-caprolactam |
| InChI : | InChI=1/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8) |
| Std.InChI: | InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8) |
| InChIKey : | JBKVHLHDHHXQEQ-UHFFFAOYAF |
| Std.InChIKey: | JBKVHLHDHHXQEQ-UHFFFAOYSA-N |
| SMILES : | C1CCC(=O)NCC1 |
| MDL: | MFCD00006936 |
| Molar Refractivity : | 31.14 ± 0.3 cm3 (est) |
| Parachor : | 274.1 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.446 ± 0.02 (est) |
| Surface Tension : | 30.4 ± 3.0 dyne/cm (est) |
| Density : | 0.969 ± 0.06 g/cm3 (est) |
| Polarizability : | 12.34 ± 0.5 10-24cm3 (est) |
| 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. | |
| 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) | |
| None found |
| BOC Sciences |
| For experimental / research use only. |
| Caprolactam 95% |
| Penta International |
| 1,6-HEXALACTAM |
| Sigma-Aldrich |
| 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) |
| 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 THRESHOLDSENSE 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: DYSPNEABEHAVIORAL: 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: ANTIPSYCHOTICBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDBEHAVIORAL: ANALGESIA Journal of Pharmaceutical Sciences. Vol. 60, Pg. 1058, 1971. unreported-mouse LD50 930 mg/kg KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASEDBEHAVIORAL: 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 GLANDSBEHAVIORAL: 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 INCREASEDBEHAVIORAL: 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 THRESHOLDKIDNEY, 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 GLANDSBEHAVIORAL: 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 THRESHOLDBEHAVIORAL: 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. | |
| 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 | |
| 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 |
| azepan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 105-60-2 |
| Pubchem (cid): | 7768 |
| Pubchem (sid): | 134971171 |
| (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 | |
| None Found |
| 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 |
