Cyclohexylamine

HCID 7965CAS 108-91-8

Grundinformationen

Standard-SMILES
NC1CCCCC1
InChIKey
PAFZNILMFXTMIY-UHFFFAOYSA-N
Summenformel
C6H13N
Durchschnittliche Molmasse
99,17 g/mol
Monoisotopische Masse
99,10479942

Überblick

Cyclohexylamine appears as a clear colorless to yellow liquid with an odor of ammonia. Flash point 90 °F. Irritates the eyes and respiratory system. Skin contact may cause burns. Less dense than water. Vapors heavier than air. Toxic oxides of nitrogen produced during combustion.

Namen und Bezeichner

Bevorzugter Name
Cyclohexylamine
IUPAC
cyclohexanamine
Lokaler Name
Cyclohexylamin
Englischer Name
Cyclohexylamine
Summenformel
C6H13N
Molmasse
99.17

Namen und Synonyme

CYCLOHEXYLAMINECyclohexanamine108-91-8AminocyclohexaneHexahydroanilineHexahydrobenzenamineAminohexahydrobenzene1-Cyclohexylamine1-AminocyclohexaneAniline, hexahydro-Benzenamine, hexahydro-DTXSID1023996
Weitere Namen anzeigen
CHACyclohexylamincyclohexaneamineCHA-60cha[qr]AURORA KA-7609
I6GH4W7AEGDTXCID203996CHEBI:15773RefChem:5719203-629-0Cyclohexyl aminecyclohexyl-amine1-AMINO-CYCLOHEXANE

Datenbank-Bezeichner

CAS
108-91-8
PubChem CID
7965
DTXSID
DTXSID1023996
ChEMBL
CHEMBL1794762
ChEBI
CHEBI:15773
UNII
I6GH4W7AEG
EC Number
203-629-0
Nikkaji
J2.870C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,5
Polarare Oberfläche (TPSA)
26 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
7

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Nitrogen Compounds -> Amines, Cyclic

Corrosives

DrugsPharmaceuticals -> Listed in ZINC15
CosmeticsAnticorrosive; Buffering
pHSTRONG BASE
SpringerMaterials PropertiesBoiling point
PesticidesPesticide -> EPA IRIS

Physikochemische Eigenschaften

Schmelzpunkt
-17 °C · -17 °C
Siedepunkt
134 °C · 134 °C(lit.)
Dichte
0.867 g/mL · 0.867 g/mL at 25 °C(lit.)
Dampfdichte
3.42 · 3.42 (vs air)
Dampfdruck
10 mm · 10 mm Hg ( 22 °C)
Brechungsindex
20 · n20/D 1.459(lit.)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H226: Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Danger

H226 (90.4%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P361+P364, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: Cyclohexanamine

Cyclohexanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanamine 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: 24-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13348

Cyclohexanamine: HSNO Approval: HSR001532 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationIMAP assessments - Cyclohexanamine: Human health tier II assessment
DOT LabelCorrosive Flammable Liquid
Fire Hazards · 3 Einträge

When heated to decomposition, it emits highly toxic fumes. Vapor may travel a considerable distance to source of ignition and flash back. Toxic oxides of nitrogen are produced during combustion. Nitric acid; reacts vigorously with oxiding materials. Stable, avoid physical damage, storage with oxidizing material. (EPA, 1998)

· Flammable/combustible material.

Flammable. Above 28 °C explosive vapour/air mixtures may be formed.

Fire Potential · 2 Einträge

FLAMMABLE LIQUID...

Dangerous fire hazard when exposed to heat, flame, or oxidizers.

Health Hazards · 2 Einträge

This is classified as very toxic -- probable oral lethal dose is 50-500 mg/kg or between 1 teaspoon and 1 ounce for a 70 kg (150 lb.) person. It is considered a nerve poison. This is a weak methemoglobin-forming substance. (EPA, 1998)

· May cause toxic effects if inhaled or ingested.

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Wear self-contained (positive pressure if available) breathing apparatus and full protective clothing. Use dry chemical, alcohol foam or carbon dioxide; water may be ineffective. Move container from fire area if you can do it without risk. Stay away from ends of tanks. Cool containers that are exposed to flames with water from the side until well after fire is out. Withdraw immediately in case of rising sound from venting safety device or any discoloration of tank due to fire. Keep unnecessary people away; isolate hazard area and deny entry. Isolate for one-half mile in all directions if tank car or truck is involved in fire. Stay upwind; keep out of low areas. (EPA, 1998)

Use water in large amounts, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 Einträge

Fresh air, rest. Half-upright position. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting. Refer for medical attention . Give one or two glasses of water to drink.

Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 3 Einträge

Warning: Cyclohexylamine is an alkaline-corrosive agent. Contact with eyes may result in severe damage to the cornea, conjunctiva, and blood vessels. Caution is advised.

General First Aid:

(General first aid procedures)

Safe StorageFireproof. Separated from acids, oxidants, aluminium, copper, zinc and food and feedstuffs. Well closed.
Firefighting HazardsVAPORS ARE HEAVIER THAN AIR AND MAY TRAVEL TO A SOURCE OF IGNITION & FLASH BACK.

Toxikologische Informationen

Target Organs · 2 Einträge

Reproductive

Eyes, skin, respiratory system, central nervous system

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 150(SRC), determined from a measured log Kow of 1.49(2) and a regression-derived equation(3), indicates that cyclohexylamine as the free base is expected to have high mobility in soil(SRC). A pKa value of 10.6(4) indicates that the protonated form of cyclohexylamine will be the dominant species in moist soil surfaces and cations generally adsorb more strongly to soils than their neutral counterparts. Volatilization of cyclohexylamine from moist soil surfaces is not an important fate process since the cation will not volatilize. The potential for volatilization of cyclohexylamine from dry soil surfaces may exist(SRC) based upon a vapor pressure of 10.1 mm Hg(5). Biodegradation is expected to occur in soils based on standard biodegradability tests conducted with activated sludge and sewage inocula(6-8).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 150(SRC), determined from a measured log Kow of 1.49(2) and a regression-derived equation(3), indicates that cyclohexylamine as the free base is not expected to adsorb to suspended solids and sediment(SRC). A pKa value of 10.6(4) indicates that the protonated form of cyclohexylamine will be the predominant species in water and cations generally adsorb more strongly than their neutral counterparts. Volatilization from water surfaces is not an important fate process(SRC) since the protonated form will not volatilize. According to a classification scheme(5), an estimated BCF of 3(SRC), from its log Kow of 1.49(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low. Biodegradation is expected to occur in aquatic environments based on standard biodegradability tests conducted with activated sludge and sewage inocula(7-9).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), cyclohexylamine, which has a vapor pressure of 10.1 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase cyclohexylamine 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 7 hours(SRC), calculated from its rate constant of 5.5X10-11 cu cm/molecule-sec at 25 °C(SRC) determined using a structure estimation method(3).

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Exposure Routes · 2 Einträge

The substance can be absorbed into the body by inhalation, through the skin and by ingestion.

inhalation, skin absorption, ingestion, skin and/or eye contact

Signs and Symptoms · 5 Einträge

Burning sensation. Cough. Laboured breathing. Nausea. Vomiting.

Redness. Pain. Skin burns.

Redness. Pain. Severe deep burns.

Dizziness. Abdominal cramps. Burning sensation. Vomiting. Abdominal pain. Shock or collapse. Nausea.

irritation eyes, skin, mucous membrane, respiratory system; eye, skin burns; skin sensitization; cough, pulmonary edema; drowsiness, dizziness; diarrhea, nausea, vomiting

Effluent Concentrations · 1 Eintrag

Cyclohexylamine was detected, not quantified, in the leachate of 2 low-level radioactive disposal facilities located in Maxey Flats, Kentucky and West Valley, New York(1). Effluent from a tire manufacturing plant contained cyclohexylamine at approximately 0.01 ppm(2).

Regulatorische Informationen

Atmospheric Standards · 1 Eintrag

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. Cyclohexylamine is produced, as an intermediate or a final product, by process units covered under this subpart.

CERCLA Reportable Quantities · 1 Eintrag

Releases of CERCLA hazardous substances are subject to the release reporting requirement of CERCLA section 103, codified at 40 CFR part 302, in addition to the requirements of 40 CFR part 355. Cyclohexylamine is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 10,000 lbs.

DHS Chemicals of Interest (COI) · 4 Einträge

Cyclohexylamine

1

15000

Toxic chemical that can be released at a facility.

State Drinking Water Guidelines(FL) FLORIDA 5,000 ug/l

Sicherheitsdaten

F
10-34
OEB
A
OEL
TWA: 10 ppm (40 mg/m3)
wgk
1
tsca
TSCA listed
ridadr
UN 2357

Chemie und Industrie

Pharmakologische Informationen

Biological Half-Life · 1 Eintrag

Cyclohexylamine showed dose dependent kinetics after administration of single oral doses of 35, 200 or 500 mg/kg in mice, with a reduction in plasma clearance from 61 to 53 ml/min/kg, an increase in apparent half-life from 1.4 to 3.5 hr, and an increased area under the testicular concentration vs time curve. During chronic dietary administration the concentrations of cyclohexylamine in the plasma and testes showed little diurna variation. The steady state plasma clearance was 65 ml/min/kg. The concentrations of cyclohexylamine in the plasma and testes of the mice showed a linear relationship to dietary intake, even at the highest intake, about 900 mg/kg/day.

Metabolism/Metabolites · 5 Einträge

ALLEGED CARCINOGENICITY OF.../SODIUM CYCLAMATE/ WHEN CHRONICALLY FED (IN ADMIXTURE WITH SACCHARIN) AT HIGH DOSE LEVELS TO RATS COULD BE CAUSED BY N-HYDROXYCYCLOHEXYLAMINE THAT HAS BEEN REPORTED TO BE PRODUCED IN SMALL QUANTITIES IN RABBITS DOSED WITH CYCLOHEXYLAMINE, WHICH IS METABOLITE FORMED FROM.../SODIUM CYCLAMATE/.

FEEDING 0.2 G/KG TO RABBITS GAVE UNCHANGED CYCLOHEXYLAMINE AND N-HYDROXYCYCLOHEXYLAMINE IN URINE. ISOTOPE DILUTION ASSAYS AFTER (14)C-LABELED COMPD GAVE 45% UNCONJUGATED CYCLOHEXYLAMINE, 0.2% UNCONJUGATED N-HYDROXYCYCLOHEXYLAMINE, 2.5% CYCLOHEXANONE OXIME.

...AN 8-YEAR FEEDING STUDY WITH CYCLAMATE (200 MG/KG, 6 DAYS/WEEK) IN RHESUS MONKEYS PRODUCED NO ABNORMAL MORPHOLOGY OF THE LIVER, KIDNEYS, BLADDER, AND TESTES. MOST OF THE CYCLAMATE WAS EXCRETED UNCHANGED IN THE URINE, BUT CYCLOHEXYLAMINE WAS TRANSFORMED IN TURN INTO CYCLOHEXANONE AND CYCLOHEXANOL TO THE EXTENT OF 1-2% OF THE DOSE. /CYCLAMATE/

CYCLOHEXYLAMINE WAS DEAMINATED TO CYCLOHEXANONE BY RABBIT LIVER MICROSOMES IN THE PRESENCE OF NADPH & MOLECULAR OXYGEN. CYCLOHEXANONE OXIME WAS ALSO IDENTIFIED FROM THE INCUBATION MIXTURE.

For more Metabolism/Metabolites (Complete) data for CYCLOHEXYLAMINE (13 total), please visit the HSDB record page.

Absorption, Distribution and Excretion · 5 Einträge

IV INFUSION OF (14)C-SODIUM CYCLAMATE & (14)C-CYCLOHEXYLAMINE INTO PREGNANT RHESUS MONKEYS SHOWED THAT WHILE TRANSPLACENTAL TRANSFER OF (14)C-SODIUM CYCLAMATE WAS LIMITED, THE AMINE READILY CROSSED THE PLACENTA SINCE FETAL & MATERNAL BLOOD LEVELS OF (14)C WERE SIMILAR.

WHEN RABBITS FED (14)C-LABELED COMPOUND, 68% OF RADIOACTIVITY WAS RECOVERED FROM URINE IN 60 HR, ONLY 0.5% ELIMINATED IN BREATH.

Cyclohexylamine showed dose dependent kinetics after administration of single oral doses of 35, 200, or 500 mg/kg in rats, with a reduction in plasma clearance from 37 to 24 ml/min/kg, an increase in apparent half-life from 11.8 to 12 hr, and an increased area under the testicular concentration vs time curve. Saturation of cyclohexylamine uptake by rat renal cortical slices in vitro and of renal tubular secretion in vivo occurred at concentrations and doses comparable to the oral dose studies. Cyclohexylamine clearance from a 10 mg/kg infusion was 2.58 + or - 1.13 ml/min and from a 200 mg/kg infusion, 2.49 + or - 1.65 ml/min. The cyclohexylamine to inulin clearance ratios were 2 at a dose of 10 mg/kg and 1.23 at a dose of 200 mg/kg. During chronic dietary administration the concentrations of cyclohexylamine in the plasma and testes showed a pronounced diurnal variation in rats, reaching a peak concentration at the end of the dark cycle at 6 AM (6.3 + or - 1.5 ug/ml in plasma an 45.7 + or - 3.4 ug/g in testes). The lowest concentrations of cyclohexylamine were at 9 PM (1.5 + of - 0.5 ug/ml in plasma and 10.9 + or - 3.6 ug/g in testes). The steady state plasma clearance was 33 ml/min/kg. The concentrations of cyclohexylamine in the plasma and testes of rats showed a nonlinear relationship to dietary intake. Elevated concentrations were found at intake greater than 200 mg/kg/day.

Generally, cyclohexylamine, is readily absorbed & rapidly excreted from the body. After admin to rats, cyclohexylamine appears in body tissues with the highest concn in the lungs, spleen, liver, adrenals, heart, GI tract & kidneys.

For more Absorption, Distribution and Excretion (Complete) data for CYCLOHEXYLAMINE (8 total), please visit the HSDB record page.

Cellular LocationsCytoplasm

Verwendung und Herstellung

Uses · 3 Einträge

Used to inhibit corrosion in boiler feed water and to manufacture insecticides, plasticizers, dry-cleaning soaps, rubber chemicals, dye stuffs, and gas absorbents. [ACGIH]

In org synthesis; mfr insecticides, plasticizers, emulsifying agents, dry-cleaning soaps, acid gas absorbents

Boiler water treatment, rubber accelerator, intermediate in organic synthesis

ImpuritiesAVAILABLE COMMERCIALLY IN THE US...WITH PURITY, 98% MINIMUM; AND 0.5% MAXIMUM BY WEIGHT MOISTURE CONTENT.
U.S. ExportsCHEMICAL PROFILE: About 3 million pounds
U.S. Imports · 3 Einträge

(1978) 2.54X10+8 G

(1982) 7.40X10+8 G

CHEMICAL PROFILE: About 500,00 pounds

U.S. Production · 6 Einträge

2023: 10,000,000 - <25,000,000 lb

(1978) PROBABLY GREATER THAN 6.81X10+6 G

(1982) PROBABLY GREATER THAN 4.54X10+6 G

CHEMICAL PROFILE: Cyclohexylamine. Demand: 1986: 9.2 million lb; 1987: 9.4 million lb; 991 /projected/: 10.4 million lb.

CHEMICAL PROFILE: Cyclohexylamine. Demand: 1989: 13 million lb; 1990 /projected/: 13.4 million lb; 1994 /projected/: 14.5 million lb. (Includes exports of 3.5 million lb, but not imports which amounted to about 2 million lb last year.)

For more U.S. Production (Complete) data for CYCLOHEXYLAMINE (6 total), please visit the HSDB record page.

Consumption Patterns · 4 Einträge

CORROSION INHIBITOR IN BOILER WATER TREATMENT, 60%; CHEM INT FOR RUBBER-PROCESSING CHEMS, 25%; OTHER USES (EG, CORROSION INHIBITOR IN OIL FIELD APPLICATIONS), 15% (1982)

CHEMICAL PROFILE: Cyclohexylamine. Boiler water treatment, 70%; rubber chemicals, 17%; chain terminator, 6%; miscellaneous, including oilfield corrosion inhibitors, photographic chemicals, catalysts, intermediates and metal extraction, 7%.

CHEMICAL PROFILE: Cyclohexylamine. Boiler water treatment, 60%; rubber chemicals, 12%; nylon chain terminator, 10%; agricultural chemicals, 10%; miscellaneous (including oilfield corrosion inhibitors, photographic chemicals, catalysts, intermediates, metal extraction and exports), 8%.

Boiler water treatment, 55 percent; rubber chemicals, 30 percent; miscellaneous, 15 percent.

Anwendungen

VerwendenCyclohexylamine is used in the manufacture of a number of products, including plasticizers, drycleaning soaps, insecticides, and emulsifying agents. It is also used as a corrosion inhibitor and in organic synthesis.

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [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]
常州市君驰化工有限公司0519-85518211 15195021697 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: Cyclohexylamine is a primary aliphatic amine consisting of cyclohexane carrying an amino substituent. It has a role as a human xenobiotic metabolite and a mouse metabolite. It is a conjugate base of a cyclohexylammonium.

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