Diethylamine

HCID 8021CAS 109-89-7

基本情報

標準SMILES
CCNCC
InChIKey
HPNMFZURTQLUMO-UHFFFAOYSA-N
分子式
C4H11N
平均分子量
73.14 g/mol
単同位体質量
73.08914935

概要

Diethylamine appears as a clear colorless liquid with an ammonia-like odor. Density 5.9 lb / gal. Flash point -15 °F. A respiratory irritant. Corrosive to the eyes and skin. Vapors heavier than air. Toxic oxides of nitrogen produced during combustion.

名称と識別子

優先名称
Diethylamine
IUPAC
N-ethylethanamine
英語名
N,N-Diethylamine
分子式
C4H11N
分子量
73.14

名称と別名

DIETHYLAMINE109-89-7N-EthylethanamineN,N-DiethylamineEthanamine, N-ethyl-DiaethylaminDietilaminaDwuetyloaminaDTXSID6021909B035PIS86WAI3-24215DTXCID501909
名称をさらに表示
CHEBI:85259RefChem:5748203-716-3Diethaminediethyl amineDiethyl-amineMelphalan EP Impurity KEt2NH

データベース識別子

CAS
109-89-7、71247-25-1
PubChem CID
8021
DTXSID
DTXSID6021909
ChEMBL
CHEMBL1189
ChEBI
CHEBI:85259
UNII
B035PIS86W
EC Number
203-716-3
Nikkaji
J807I

物性

構造計算による物性

XLogP
0.6
極性表面積
12 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
2
重原子数
5

実験および物理化学的性質

Chemical Classes · 2 件

Nitrogen Compounds -> Amines, Aliphatic

Corrosives

DrugsPharmaceuticals -> Metabolite of Disulfiram
CosmeticsBuffering
pHSTRONGLY ALKALINE
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP · 4 件

log Kow = 0.58

0.580

0.58

0.57

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 5 件

Chemical: Ethanamine, N-ethyl-

Ethanamine, N-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanamine, N-ethyl- 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: 02-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13453

Ethanamine, N-ethyl-: HSNO Approval: HSR001127 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 InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
DOT LabelFlammable Liquid Corrosive
Fire Hazards · 3 件

Special Hazards of Combustion Products: Vapors are irritating

· Flammable/combustible material.

Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive.

Fire PotentialA very dangerous fire hazard when exposed to heat, flame, or oxidizers.
Health Hazards · 2 件

Irritation and burning of eyes, skin, and respiratory system. High concentration of vapor can cause asphyxiation. (USCG, 1999)

· May cause toxic effects if inhaled or ingested.

安全と保護具

Fire Fighting · 2 件

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

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

First Aid Measures · 4 件

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

First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again. Refer immediately for medical attention.

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

Rinse mouth. Do NOT induce vomiting. Refer immediately for medical attention.

Accidental Release Measures · 2 件

· 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 件

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:

(General first aid procedures)

Safe StorageFireproof. Separated from strong oxidizers, strong acids, organic compounds and food and feedstuffs. Cool. Well closed. Store only in original container. Store in an area without drain or sewer access.
Firefighting HazardsVapors are heavier than air & may travel to a source of ignition & flash back.

毒性情報

Interactions · 2 件

Infant C57BL and C3HF1 male mice were given diethylamine hydrochloride (DEA-HCl) and sodium nitrite (50 ug/g intragastrically either singly or in combination). Animals were sacrificed periodically up to 110 wk. Histological exam of the liver revealed that mice given DEA-HCl and sodium nitrite had significantly more liver tumors compared to mice given only sodium nitrate or DEA-HCl. This suggests the formation of a potent carcinogen in vivo by the interaction of DEA-HCl and sodium nitrite. /DEA-HCl/

Nitrite ... is used as a food additive in meats and smoked fish. Some fish, vegetables, and fruit juices contain secondary amines. The acidic environment of the stomach facilitates a chemical reaction between nitrite and secondary amines, leading to the formation of carcinogenic nitrosamines. /Secondary amines/

Target OrgansEyes, skin, respiratory system, cardiovascular system
Ecotoxicity Values · 5 件

LC50; Species: Pimephales promelas (Fathead minnow) age 30 days; Conditions: flow through, 24.7 °C, pH 7.71, dissolved oxygen 7.1 mg/L, hardness 48.5 mg/L CaCO3, alkalinity 49.5 mg/L CaCO3; Concentration: 855 mg/L for 96 hr /98% purity/

LC50; Species: /Oncorhynchus mykiss/ (rainbow trout); Concentration: 25-182 mg/L for 96 hr /conditions of bioassay not specified/

EC50; Species: Anabaena subcylindrica (Blue-green algae) axenic, 1-3x 10+7 cells/mL; Conditions: freshwater, static, 25 °C, pH 7.2; Concentration: 7.8x10-8 ug/cell for < or = 3 hr; Effect: decreased nitrogen fixation

EC50; Species: Anabaena subcylindrica (Blue-green algae) axenic, 1-3x 10+7 cells/mL; Conditions: freshwater, static, 25 °C, pH 7.2; Concentration: 7.7x10-8 ug/cell for < or = 3 hr; Effect: decreased photosynthesis, oxygen production

For more Ecotoxicity Values (Complete) data for DIETHYLAMINE (10 total), please visit the HSDB record page.

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 27(SRC), determined from a structure estimation method(2), indicates that diethylamine is expected to have very high mobility in soil(SRC). The pKa of diethylamine is 11.09(3), indicating that this compound will exist entirely in the cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4). Volatilization of diethylamine from moist soil surfaces is not expected to be an important fate process(SRC) given its cationic state(SRC). Diethylamine is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 237 mm Hg at 25 °C(5). Between 69 and 89% of the Theoretical BOD was achieved for diethylamine using an activated sludge inoculum digested for 4 weeks(6), suggesting biodegradation may be an important fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 27(SRC), determined from a structure estimation method(2), indicates that diethylamine is not expected to adsorb to suspended solids and sediment(SRC). A pKa of 11.09(3) indicates diethylamine will exist entirely in the cation form at pH values of 5 to 9 and, therefore, volatilization from water surfaces is not expected to be an important fate process(SRC). Diethylamine is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(4). According to a classification scheme(5), an estimated BCF of 3(SRC), from its log Kow of 0.58(6) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Diethylamine, present at 10 ppm, reached 38% of its Theoretical BOD in 12 days using freshwater/sediment inoculum(7). The biodegradation half-life of diethylamine in stream water was 0.9 days at an initial concentration of 10 mg/L(8).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), diethylamine, which has a vapor pressure of 237 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase diethylamine 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 5 hours(SRC), calculated from its rate constant of 8.1X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Diethylamine does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

Food Survey Values · 2 件

Fresh fruit and vegetables, preserved and processed foods purchased from retail outlets were analyzed for the content of diethylamine. It was not detected in fresh cabbage, red cabbage, cauliflower, kale, white or red beet, carrots, large or red radish, celery, rhubarb, corn, green salad, preserved kale, pickled cabbage, cheese, coffee, cocoa, tea or white wine. Other food products contained diethylamine as follows(1):[Table#1504]

Diethylamine has been identified as a volatile component of boiled beef(1).

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

法規制情報

FDA RequirementsDiethylamine is an indirect food additive for use only as a component of adhesives.
TSCA Requirements · 1 件

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. Ethanamine, N-ethyl- is included on this list. Effective date: 6/1/87; Sunset date: 6/1/97.

Atmospheric Standards · 1 件

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

CERCLA Reportable Quantities · 1 件

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 100 lb or 45.4 kg. The toll free number of the NRC is (800) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).

Clean Water Act Requirements · 1 件

Diethylamine is designated as a hazardous substance under section 311(b)(2)(A) of the Federal Water Pollution Control Act and further regulated by the Clean Water Act Amendments of 1977 and 1978. These regulations apply to discharges of this substance. This designation includes any isomers and hydrates, as well as any solutions and mixtures containing this substance.

安全データ

ridadr
UN 1154
hazard_class
3
packing_group
II

化学と産業

用途と製造

Uses · 6 件

Used in the manufacture of rubber, petroleum products, resins, dyes, and pharmaceuticals; [Merck Index] Used as a corrosion inhibitor, rubber accelerator, and polymerization inhibitor; Also used in electroplating and as an organic intermediate; A metabolite of the drug disulfiram used in the treatment of alcohol abuse; [ACGIH]

Electroplating [Category: Plate]

Rubber chemicals, textile specialties, selective solvent, dyes, flotation agents, resins, pesticides, polymerization inhibitors, pharmaceuticals, petroleum chemicals, electroplating, corrosion inhibitors.

In the rubber and petroleum industry. In flotation agents; resins, dyes, buffer formulations, and pharmaceuticals.

CHEMICAL INT IN SYNTH OF RUBBER-PROCESSING CHEMICALS, DIETHYLAMINO ETHANOL FOR MEDICINALS, & 3-DIETHYLAMINO PROPYLAMINE, 2-DIETHYLAMINO ETHYL METHACRYLATE & N,N-DIETHYL- M-TOLUAMIDE (INSECT REPELLENT)

Used for the manufacture of diethyldithiocarbamate and thiurans (rubber processing accelerators)

U.S. Exports(1972) NEGLIGIBLE
U.S. Imports(1972) NEGLIGIBLE
U.S. Production · 6 件

2023: 10,000,000 - <50,000,000 lb

(1972) 5.04X10+9 GRAMS

(1975) 5.64X10+9 GRAMS

(1981) 15,932X10+3 lb

(1984) 8.40X10+9 g

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

Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate

サプライヤー50 社

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]
山东艾斯曼新材料有限公司13698626386 13698626386
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

関連反応

4,064 件

関連ノート

読み込み中…