Caprolactam

HCID 7768CAS 105-60-2

Basic information

Standard SMILES
O=C1CCCCCN1
InChIKey
JBKVHLHDHHXQEQ-UHFFFAOYSA-N
Molecular formula
C6H11NO
Average molar mass
113.16 g/mol
Monoisotopic mass
113.08406397

Overview

Caprolactam is a clear to milky white-colored solution with a mild, disagreeable odor. Contact may cause slight irritation to skin, eyes, and mucous membranes. May be mildly toxic by ingestion. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. As a liquid it can easily penetrate the soil and contaminate groundwater and nearby streams. Used to make other chemicals.

Names & identifiers

Preferred name
Caprolactam
IUPAC
azepan-2-one
English name
6-Caprolactam
Molecular formula
C6H11NO
Molecular weight
113.15764

Names & synonyms

azepan-2-oneCAPROLACTAM105-60-2epsilon-Caprolactam2-Oxohexamethylenimine6-CaprolactamAminocaproic lactamHexahydro-2H-azepin-2-one6-Hexanelactam2-Oxohexamethyleneimine2-AzacycloheptanoneHexanolactam
Show more names
2H-Azepin-2-one, hexahydro-Hexahydro-2-azepinone2-Perhydroazepinone1,6-HexolactamHexanone isoximeHexanonisoximCaprolattame2-Ketohexamethylenimine

Database identifiers

CAS
105-60-2
PubChem CID
7768
DTXSID
DTXSID4020240
ChEMBL
CHEMBL276218
ChEBI
CHEBI:28579
UNII
6879X594Z8
EC Number
203-313-2、918-077-2、919-537-5
Nikkaji
J3.605F

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
8

Experimental & physicochemical properties

Chemical Classes · 2 items

Hazardous Air Pollutants (HAPs)

Industrial compound

PolymersPlastics & Rubber -> Other Monomers
SpringerMaterials PropertiesBoiling point
PesticidesPesticide -> EPA IRIS
LogP · 2 items

-0.19

-0.08

Odor... Unpleasant odor ...

Physicochemical properties

Melting point
69.3 °C · 69.3 °C
Boiling point
270 °C · 270 °C
Density
1.02 g/cm3 · 1.02 g/cm3
pka
16.61 · 16.61±0.20(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1874) of reports.

Warning

H302 (99.9%): Harmful if swallowed [Warning Acute toxicity, oral]

Hazard information

Regulatory Information · 6 items

Chemical: 2H-Azepin-2-one, hexahydro-

Hazard Traits - Ocular Toxicity; Respiratory Toxicity

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2H-Azepin-2-one, hexahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-Azepin-2-one, hexahydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 19-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15939

Caprolactam: Does not have an individual approval but may be used under an appropriate group standard

Fire Hazards · 2 items

Special Hazards of Combustion Products: Toxic oxides of nitrogen (USCG, 1999)

Combustible. Gives off irritating or toxic fumes (or gases) in a fire.

Health HazardsInhalation causes coughing or mild irritation. Contact with hot liquid will burn eyes and skin. (USCG, 1999)
Hazards Summary · 2 items

Caprolactam is used in the manufacture of synthetic fibers. Acute (short-term) exposure to caprolactam may result in irritation and burning of the eyes, nose, throat, and skin in humans. Headaches, malaise, confusion, and nervous irritation have been observed in workers exposed to caprolactam by inhalation. Chronic (long-term) exposure of workers to caprolactam has been observed to cause peeling of the hands and some eye, nose, and throat irritation, but no other effects on general health. EPA has not classified caprolactam for carcinogenicity.

May cause skin sensitization; A skin, eye, and respiratory tract irritant; Inhalation of high concentrations may cause CNS effects; [ICSC] Liver and kidney changes occur in subchronic animal studies using intraperitoneal doses. [ACGIH]

Reactive GroupAmides and Imides
EC ClassificationSymbol: Xn; R: 20/22-36/37/38; S: (2)

Safety & protection

Fire FightingUse foam, powder, carbon dioxide, water in large amounts.
First Aid Measures · 4 items

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower.

Rinse with plenty of water (remove contact lenses if easily possible). Refer for medical attention.

Rinse mouth. Refer for medical attention .

First Aid · 2 items

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

(General first aid procedures)

Safe StorageSeparated from strong oxidants. Dry.
Exposure Control and Personal Protection2.0 [mg/m3], inhalable fraction[German Research Foundation (DFG)]
Disposal Methods · 3 items

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Controlled incineration (oxides of nitrogen are removed from the effluent gas by scrubbers and/or thermal devices). Also caprolactam may be recovered from caprolactam still bottoms or nylon waste. Recommendable method: Incineration.

The following wastewater treatment technologies have been investigated for caprolactam: biological treatment.

Toxicology

Target Organs · 2 items

Developmental

Eyes, skin, respiratory system, central nervous system, cardiovascular system, liver, kidneys

Environmental Fate · 3 items

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 57(SRC), determined from a structure estimation method(2), indicates that caprolactam is expected to have high mobility in soil(SRC). Volatilization of caprolactam from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 5.4X10-11 atm-cu m/mole from its vapor pressure, 1.9X10-3 mm Hg at 25 °C(5), and water solubility, 5.25X10+6 mg/l(6). Caprolactam is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.9X10-3 mm Hg at 25 °C(5). Caprolactam is degraded in aquatic environments with a half life of 5 to 15 days, and is expected to be degraded in aerobic soils in a similar timeframe(6).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 57(SRC), determined from an estimation method(2), indicates that caprolactam is not expected to adsorb to suspended solids or to sediments in water(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 5.4X10-11 atm-cu m/mole(SRC) calculated from its vapor pressure, 1.9X10-3 mm Hg at 25 °C(4), and water solubility, 5.25X10+6 mg/l(5). According to a classification scheme(6), an estimated BCF of 3.1(SRC), from an estimated log Kow of 0.66(7) suggests the potential for bioconcentration in aquatic organisms is low. Biodegradation in aquatic environments is expected to be extensive; complete degradation of 50-100 ug/ml caprolactam was observed in nutrient-amended or sediment-associated lake water in 21 days(8). Slightly less caprolactam was degraded (36-85%) after 21 days if higher concentrations (1000 to 2000 ug/ml) were used. However, in none of these control cases was any complete degradation (mineralization) of the caprolactam observed. Based on very slow hydrolysis rates of other aliphatic acid amides, hydrolysis is not expected to be an important fate process(5). Experiments conducted with sterile natural waters, however, demonstrated that caprolactam is abiotically degraded. It is not known whether or not the product of this abiotic degradation is the product of hydrolysis, aminocaproic acid(5).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), caprolactam, which has a vapor pressure of 1.9X10-3 mm Hg at 25 °C(4), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase caprolactam is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 21 hours(SRC), calculated from its rate constant of 18X10-12 cu cm/molecule-sec at 25 °C(3). Caprolactam does not absorb light in the environmental spectrum (>290 nm), indicating there is little potential for direct photolysis.

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Exposure Routes · 2 items

The substance can be absorbed into the body by inhalation of its aerosol.

inhalation, ingestion, skin and/or eye contact

Signs and Symptoms · 5 items

Cough. Abdominal cramps. Dizziness. Headache. Confusion.

Redness.

Redness. Pain.

Nausea. Vomiting. Abdominal pain. Diarrhoea.

irritation skin, eyes, respiratory system; epistaxis (nosebleed); dermatitis, skin sensitization; asthma; irritability, confusion, dizziness, headache; abdominal cramps, diarrhea, nausea, vomiting; liver, kidney injury

Ongoing Test Status · 1 item

The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=105-60-2]

Regulatory information

TSCA Requirements · 1 item

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 2H-Azepin-2-one, hexahydro- is included on this list.

Atmospheric Standards · 2 items

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Caprolactam is produced, as an intermediate or a final product, by process units covered under this subpart.

Listed as a hazardous air pollutant (HAP) generally known or suspected to cause serious health problems. The Clean Air Act, as amended in 1990, directs EPA to set standards requiring major sources to sharply reduce routine emissions of toxic pollutants. EPA is required to establish and phase in specific performance based standards for all air emission sources that emit one or more of the listed pollutants. Caprolactam is included on this list.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302+H332-H315-H319-H335
Precautionary statements
P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338

Chemistry & industry

Pharmacology

Metabolism/Metabolites · 2 items

METAB STUDIES OF CAPROLACTAM IN RAT & RABBIT PRODUCED EQUIVOCAL RESULTS AS FAR AS THEIR APPLICATION TO MAN IS CONCERNED; RABBIT APPEARED TO METABOLIZE CAPROLACTAM COMPLETELY, WHEREAS RAT EXCRETED CAPROLACTAM ONLY IN PART AS METABOLITE EPSILON-AMINO ACID.

EPSILON-CAPROLACTAM IS EXCRETED BY RATS PARTLY AS LACTAM & PARTLY AS EPSILON-AMINO ACID.

Absorption, Distribution and Excretion · 5 items

... STUDY IN WHICH ANIMALS WERE ADMIN DAILY 50-100 MG EPSILON-CAPROLACTAM/KG ... RESULTED IN NO ACCUMULATION ... .

DETOXICATION RATE OF EPSILON-CAPROLACTAM WAS DETERMINED TO BE BETWEEN 60-70 MG/KG/HR FOR RATS. ... RAPID RATE OF ELIMINATION ... FROM BODY PREVENT ACCUM @ LEVEL CONSIDERABLY GREATER THAN RECOMMENDED TLV.

The distribution of (14)C caprolactam was studied by whole body autoradiography in male and female mice 3 hr after oral administration of 6.4-6.9 mg/kg body weight. Radioactivity was rapidly absorbed from the stomach and distributed throughout the entire animal; there was efficient elimination by the kidneys and liver. Material secreted by the liver into bile and intestinal contents did not appear to be reabsorbed via the enterohepatic circulation.

When pregnant Swiss-Webster mice were treated by oral intubation with 6.5-6.7 mg/k body weight (14)C caprolactam, rapid transfer of the radioactivity across the placenta was demonstrated by whole body autoradiography, with near complete elimination from the fetal and maternal compartments 24 hr after treatment.

When pregnant Swiss-Webster mice were treated by oral intubation with 6.5-6.7 mg/k body weight (14)C caprolactam, rapid transfer of the radioactivity across the placenta was demonstrated by whole-body autoradiography, with near-complete elimination from the fetal and maternal compartments 24 h after treatment.

Uses & manufacturing

Uses · 6 items

Caprolactam is primarily used in the manufacture of synthetic fibers (especially Nylon 6). Caprolactam is also used in brush bristles, textile stiffeners, film coatings, synthetic leather, plastics, plasticizers, paint vehicles, cross-linking for polyurethanes, and in the synthesis of lysine.

Used as a monomer for synthetic fibers, plastics, coatings, plasticizers, and paint vehicles and as a cross-linking agent for polyurethanes. [ACGIH]

Painting (Pigments, Binders, and Biocides) [Category: Paint]

Mfr synthetic fibers of the polyamide type (Perlon); solvent for high mol wt polymers

Manufacture of synthetic fibers (especially nylon 6), plastics, bristles, film, coatings, synthetic leather, plasticizers and paint vehicles, cross-linking agent for polyurethanes, synthesis of amino acid lysine.

US FDA PERMITS USE OF CAPROLACTAM ETHYLENE-ETHYL ACRYLATE GRAFT POLYMERS AS COMPONENT OF SIDE SEAM CEMENTS INTENDED FOR USE IN CONTACT WITH FOOD ...

ImpuritiesMoisture-0.10% max; iron (as Fe) 0.5 ppm max; volatile bases (as ammonia 5 ppm max; cyclohexanone oxime 10 ppm max
U.S. Exports · 3 items

(1972) 9.13X10+9 GRAMS

(1984) 2.68X10+10 g

(1996) 1.83X10+8 lbs; averaged 184 million pounds annually in the 1992-1996 period.

U.S. Imports · 3 items

(1972) 2.74X10+10 GRAMS

(1983) 8.63X10+8 g

(1996) 5.6X10+7 lbs

U.S. Production · 6 items

2023: 1,000,000,000 - <2,500,000,000 lb

(1972) 2.91X10+11 GRAMS

(1984) 4.68X10+11 g

(1988) 1.3X10+0 LBS

(1990) 1.38 billion lb

For more U.S. Production (Complete) data for CAPROLACTAM (8 total), please visit the HSDB record page.

Consumption Patterns · 5 items

93% FOR NYLON 6 FIBERS; 7% FOR NYLON 6 PLASTICS AND FILMS (1973)

86.4% NYLON-6 FIBERS, INCL MONO-FILAMENT; 9.6% NYLON-6 RESINS AND FILM; 3.7% EXPORTS; 0.3% MISC (1984)

CHEMICAL PROFILE: Caprolactam. Nylon 6 fibers, including monofilament, 87%; nylon 6 resins and film, 10%; exports, 3%.

CHEMICAL PROFILE: Caprolactam. Demand: 1985: 1,021 million lb; 1986: 1,070 million lb; 1990 /projected/: 1,200 million lb.

For more Consumption Patterns (Complete) data for CAPROLACTAM (8 total), please visit the HSDB record page.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

Additional notes

DefinitionChEBI: 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.

Related reactions

238 records

Linked notes

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