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Diisopropylamine

HCID 7912
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
108-18-9
표준 SMILES
CC(C)NC(C)C
InChIKey
UAOMVDZJSHZZME-UHFFFAOYSA-N
분자식
C6H15N
평균 분자량
101.19 g/mol
단동위원소 질량
101.12044948

개요

Diisopropylamine appears as a clear colorless liquid with an ammonia-like odor. Flash point 30 °F. Less dense than water. Vapors heavier than air. Toxic oxides of nitrogen produced during combustion. Used to make other chemicals.

이름 및 식별자

우선 이름
Diisopropylamine
IUPAC
N-propan-2-ylpropan-2-amine
영어명
Diisopropylamine
분자식
C6H15N
분자량
101.19

이름 및 동의어

DIISOPROPYLAMINE108-18-9N,N-DiisopropylamineN-(1-Methylethyl)-2-propanamine2-Propanamine, N-(1-methylethyl)-DTXSID9025085BR9JLI40NONSC-6758DTXCID905085RefChem:5756203-558-5N-isopropylpropan-2-amine
이름 더 보기
N-propan-2-ylpropan-2-aminebis(isopropyl)amineBis(Propan-2-Yl)Aminediisopropyl amineN-Isopropyl-1-amino-2-methylethaneNSC 6758bis(methylethyl)amineMFCD00008862

데이터베이스 식별자

CAS
108-18-9
PubChem CID
7912
DTXSID
DTXSID9025085
ChEMBL
CHEMBL1450356
UNII
BR9JLI40NO
EC Number
203-558-5
Nikkaji
J1.496F

물성

구조 계산 물성보충 중

XLogP
1.4
극성 표면적
12 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
7
형식 전하
0
복잡도
33.4

실험 및 물리화학적 성질

Chemical Classes · 2건

Nitrogen Compounds -> Amines, Aliphatic

Flammable agents - 3rd degree

CosmeticsCosmetic ingredients (Diisopropylamine) -> CIR (Cosmetic Ingredient Review)
pHStrongly alkaline
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP · 3건

log Kow= 1.4

1.64

1.4

Odor... Ammonia or fish-like odor.
Density · 6건

0.717 at 68 °F (USCG, 1999) - Less dense than water; will float

0.7169 @ 20 °C/4 °C

Relative density (water = 1): 0.72

0.72

0.715 @ 20°C

0.72

Viscosity0.40 cP @ 25 °C
Color/FormColorless liquid ...
Solubility · 5건

Slightly soluble (NTP, 1992)

Very soluble in acetone, benzene, ether, and ethanol.

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

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+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, 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, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 5건

Chemical: 2-Propanamine, N-(1-methylethyl)-

2-Propanamine, N-(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanamine, N-(1-methylethyl)- 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)

REACH registered substance: Diisopropylamine (EC: 203-558-5)

2-Propanamine, N-(1-methylethyl)-: HSNO Approval: HSR001132 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.)

DOT LabelFlammable Liquid Corrosive
Fire Hazards · 3건

Special Hazards of Combustion Products: Toxic oxides of nitrogen may form in fires.

· Flammable/combustible material.

Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive. Risk of fire and explosion on contact with strong oxidizing agents.

화학 및 산업

용도 및 제조

Uses · 6건

CIR ingredient: Diisopropylamine

Used as a catalyst and chemical intermediate; [ACGIH] Many aliphatic amines are used as curing agents for epoxy resins. [Sullivan, p. 473]

Plastic Composites Manufacturing [Category: Industry]

CATALYST; INTERMEDIATE

MEDICATION

Chemical intermediate in the synthesis of pharmaceuticals and pesticides (e.g. Diallate, Fenamiphos, and Triallate)

U.S. Production · 4건

2023: 50,000 - <250,000 lb

(1970) 5.45X10+8 G

(1975) PROBABLY GREATER THAN 4.54X10+5 G

(1983) 5,861,000 pounds

Industry UsesAbrasives
Methods of Manufacturing · 2건

REACTION OF AMMONIA WITH ISOPROPYL ALCOHOL

From isopropyl chloride and ammonia

Formulations/Preparations · 2건

GRADES OR PURITY: COMMERCIAL, 100%.

Grade: Technical.

General Manufacturing Information · 2건

Pharmaceutical and Medicine Manufacturing

2-Propanamine, N-(1-methylethyl)-: ACTIVE

관련 반응

7,681건
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HRID 1200 반응식
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화합물 노트

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In water, 1.1X10+5 mg/l @ 25 °C

Solubility in water, g/l: 10 (slightly soluble)

Miscible

CorrosivityMAY ATTACK SOME FORMS OF PLASTIC
Flash Point · 6건

30 °F (NTP, 1992)

-1 °C

30 °F (-1 °C)(OPEN CUP)

-6 °C o.c.

20 °F

20 °F

물리화학적 성질

녹는점
-61 °C · -61 °C
끓는 점
84 °C · 84 °C
밀도
0.7169 g/cm3 · 0.7169 g/cm3
산도 계수 (pKa)
10.76 · 10.76±0.29(Predicted)
Fire Potential
Flammable; severe fire hazard
Health Hazards · 2건

Inhalation of vapors causes irritation, sometimes with nausea and vomiting; can also cause burns to the respiratory system. Ingestion causes irritation of mouth and stomach. Vapor irritates eyes; liquid causes severe burn, like caustic. Contact with skin causes irritation. (USCG, 1999)

· May cause toxic effects if inhaled or ingested.

Hazards Summary · 1건

Liquid causes first degree burns on short exposure; [CHRIS] Corrosive to skin; [Quick CPC] Diisopropylamine is a severe pulmonary irritant in acute and chronic animal studies. At concentrations of 25 to 50 ppm, workers have experienced transient corneal injury, nausea, and headache. [ACGIH] A corrosive substance that causes lacrimation and may cause lung edema after inhalation of high concentrations; [ICSC]

DOT ID and Guide · 2건

1158 132

1158 132

Reactive GroupAmines, Phosphines, and Pyridines
UN ClassificationUN Hazard Class: 3; UN Subsidiary Risks: 8; UN Pack Group: II
Reactivity AlertsHighly Flammable
OSHA StandardsPermissible Exposure Limit: Table Z-1 8-hr Time-Weighted Avg: 5 ppm (20 mg/cu m). Skin Designation.
Reactivity Profile · 1건

DIISOPROPYLAMINE can react violently with oxidizing agents and strong acids. Readily eutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.

안전 및 보호

Fire Fighting · 2건

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

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

First Aid Measures · 4건

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer immediately for medical attention.

Wear protective gloves when administering first aid. Remove contaminated clothes. Rinse skin with plenty of water or shower for at least 15 minutes. Refer immediately for medical attention.

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

Rinse mouth. Give nothing to drink. Do NOT induce vomiting. Refer immediately for medical attention.

Accidental Release Measures · 2건

· 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 · 3건

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 oxidants, strong acids and food and feedstuffs. Store only in original container. Store in an area without drain or sewer access.
Firefighting HazardsVapors are heavier than air and may travel to a source of ignition and flash back.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Fire Fighting Procedures · 2건

Use dry chemical, "alcohol resistant" foam, carbon dioxide, or water spray. Water may be ineffective. Use water spray to keep fire-exposed containers cool. Approach fire from upwind to avoid hazardous vapors and toxic decomposition products.

Use dry chemical, alcohol foam or carbon dioxide fire fighting agents. Water may be ineffective, but effective to keep fire-exposed containers cool, to disperse the vapors, to flush spills away from exposures, to dilute spills to nonflammable mixtures and thus to prevent the spread of fires. Wear complete protective clothing.

Storage Conditions · 2건

Store in a cool, dry, well-ventilated location. Separate from acids; oxidizing material, plastics.

Protect containers against physical damage. Keep containers well closed. In factories, store in standard combustible liquid storage rooms or cabinets.

Cleanup Methods · 3건

1. REMOVE ALL IGNITION SOURCES. 2. VENTILATE AREA OF SPILL OR LEAK. 3. FOR SMALL QUANTITIES, ABSORB ON PAPER TOWELS. EVAPORATE IN SAFE PLACE (SUCH AS FUME HOOD). ALLOW SUFFICIENT TIME FOR EVAPORATING VAPORS TO COMPLETELY CLEAR HOOD DUCTWORK. BURN PAPER IN SUITABLE LOCATION AWAY FROM COMBUSTIBLE MATERIALS. LARGE QUANTITIES CAN BE RECLAIMED OR COLLECTED AND ATOMIZED IN A SUITABLE COMBUSTION CHAMBER EQUIPPED WITH AN APPROPRIATE EFFLUENT GAS CLEANING DEVICE.

DIISOPROPYLAMINE SHOULD NOT BE ALLOWED TO ENTER A CONFINED SPACE, SUCH AS A SEWER, BECAUSE OF THE POSSIBILITY OF AN EXPLOSION. SEWERS DESIGNED TO PRECLUDE THE FORMATION OF EXPLOSIVE CONCN OF...VAPORS ARE PERMITTED.

Eliminate all ignition sources. Stop or control the leak, if this can be done without undue risk. Use water spray to cool and disperse vapors, protect personnel, and dilute spills to form nonflammable mixtures. Absorb in noncombustible material for proper disposal.

Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Disposal Methods · 2건

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.

DIISOPROPYLAMINE MAY BE DISPOSED OF BY ATOMIZING IN A SUITABLE COMBUSTION CHAMBER EQUIPPED WITH AN APPROPRIATE EFFLUENT GAS CLEANING DEVICE.

독성 정보

Target OrgansEyes, skin, respiratory system
Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 140(SRC) from a log Kow of 1.4(2) and a regression derived equation(3) indicates that diisopropylamine is expected to have high mobility in soil(SRC). A pKa value of 11.07(4) indicates that the protonated form of diisopropylamine will be the dominant species in moist soil surfaces and cations generally adsorb to organic carbon and clays more strongly than their neutral counterparts(SRC). Volatilization of diisopropylamine from moist soil surfaces is not expected to be an important fate process since the cation will not volatilize. The potential for volatilization of diisopropylamine from dry soil surfaces may exist(SRC) based upon a vapor pressure of 79.4 mm Hg at 25 °C(5). Based on screening tests(6,7), biodegradation may be an important fate process in soil, providing sufficient acclimation has occured. However, high concns of diisopropylamine (> 50 ppm) appear to be toxic to microorganisms and, thus, may reduce biodegradation(6,7).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 140(SRC) from a log Kow of 1.4(2) and a regression derived equation(3) indicates that diisopropylamine is not expected to adsorb to suspended solids and sediment in water(SRC). A pKa value of 11.07(4) indicates that the protonated form of diisopropylamine will be the predominant species in water and cations generally adsorb more strongly than their neutral counterparts. Volatilization from water surfaces is not expected to be important fate process(SRC) since the protonated form is not expected to volatilize at environmental pH. According to a classification scheme(5), an estimated BCF of 2(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Based on screening tests(7,8), biodegradation may be an important fate process in aquatic systems providing sufficient acclimation has occurred.

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), diisopropylamine, which has a vapor pressure of 79.4 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase diisopropylamine 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 4 hours(SRC), from its rate constant of 9.7X10-11 cu cm/molecule-sec at 25 °C(3). Diisopropylamine is not expected to directly photolyze due to the lack of absorption in the environmental UV spectrum(SRC).

Food Survey ValuesDiisopropylamine was detected in raw beef at a concn of 0.05 ug/kg(1).
Adverse EffectsDermatotoxin - Skin burns.
Exposure Routes · 2건

Serious local effects by all routes of exposure.

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

Toxicity Summary · 2건

On the basis of the data presented in this report, the CIR Expert Panel concludes that Diisopropylamine is safe as a cosmetic ingredient as presently used. Diisopropylamine should not be used in products containing N-nitrosating agents.

Safe for use in cosmetics, with qualifications

Signs and Symptoms · 5건

Cough. Sore throat. Burning sensation. Shortness of breath. Laboured breathing.

Redness. Pain. Serious skin burns.

Redness. Pain. Blurred vision. Severe burns.

Burns in mouth and throat. Burning sensation behind the breastbone. Abdominal pain. Vomiting. Shock or collapse.

irritation eyes, skin, respiratory system; nausea, vomiting; headache; visual disturbance

ICSC Environmental DataThe substance is harmful to aquatic organisms.
Medical Surveillance · 1건

Employees should be screened for history of certain medical conditions which might place the employee at increased risk from diisopropylamine exposure. /These are/ ... chronic respiratory disease ... skin disease ... /and/ eye disease. ... Any employee developing the above-listed conditions should be referred for further medical examination.

Soil Adsorption/Mobility · 1건

The Koc of diisopropylamine was estimated as 140(SRC), using a log Kow of 1.4(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that diisopropylamine is expected to have high mobility in soil(SRC). The pKa of diisopropylamine is 11.07(4), indicating that the protonated form will be the predominant species in moist soils and cationic molecules generally adsorb to organic carbon and clays more strongly than their neutral counterparts(SRC).

TSCA Test Submissions · 5건

Diisopropylamine (CAS # 108-18-9) was evaluated for dermal sensitization in Harlet guinea pigs (5/sex) inducted with 0.3 ml occluded topical applications of 10% (v/v) test solution to shaved backs, 6 hours/day, 3 days/week for 3 weeks. Upon a third application, increasing dermal irritation required reduction of dosage to 0.3 ml of a 5% (v/v) solution, which continued to produce irritation ranging from moderate to severe. Two weeks later, the non-irritating dermal challenge upon virgin application sites produced no such signs of irritation, confirming cumulative irritation without dermal sensitization. Conversely, dermal irritation acquired during induction with DCNB (positive control) was identified as delayed hypersensitivity upon challenge 2 weeks later, which produced universal dermal irritation in response to an otherwise non-irritating dose.

Acute inhalation toxicity was evaluated in groups of 10 Sprague-Dawley rats (5 male and 5 female) exposed to diisopropylamine at analytical concentrations of 0, 5.0 and 5.3 mg/l of air for four hours. Mortality was observed in one male rat in the 5.3 mg/l group and the LC50 for both sexes was considered to be greater than 5.3 mg/l. Clinical observations of animals at one or both exposure levels immediately following exposure and during the 14 day post-exposure period included labored breathing, tremors, high-pitched respiratory sounds, partially or completely closed eyes, nasal and ocular discharges and encrustation, ocular opacity, and pitted/raised corneal surface. After an initial body weight decrease in most exposed animals on post-exposure day 2, all animals gained weight and exceeded their pre-exposure weights by post-exposure day 14. Gross necropsy revealed corneal opacity.

Diisopropylamine (CAS # 108-18-9) was evaluated in hepatocyte primary culture DNA repair assay. Isolated liver cells from Fischer-344 rats cultured in triplicate were exposed simultaneously to tritiated thymidine plus 10 concentrations of diisopropylamine ranging from 0.1 to 5000 ug/ml (cytotoxic concentration in preliminary assay), and 6 concentrations in the replicate assay from 10 to 2500 ug/ml for 18-21 hours at 37 degrees C. Each culture, washed and swelled in hypotonic solution, fixed and mounted on slides, was then dipped in autoradiographic emulsion and the cells exposed at -20 degrees C for 7 days, then developed and stained in methylgreen Pyronin Y. Thirty cells/culture, a total of 90 morphologically intact cells for each assay, were then subjected to quantitative autoradiographic grain counting to determine the net nuclear grain count (the nuclear count adjusted for background cytoplasmic uptake). Net grain counts were negative for all concentrations of test material and solvent control, reflecting a lack of diisopropylamine-induced DNA damage. Conversely, 2-AAF (the positive control) produced 39.9 and 51.2 net grain counts, respectively, in preliminary and replicate assays.

Diisopropylamine (CAS # 108-18-9) was evaluated for subchronic dermal toxicity in groups of Charles River CD(SD)BR rats (3/sex/group) exposed 5 consecutive days/week for 1 month to 15, 50 or 150 mg/kg applications, undiluted doses at or below the established NOEL in range-finding study. A plastic collar hindered ingestion of test material during treatment. Volatility analysis of the undiluted test material under the conditions of study established that evaporation would results in diminished diisopropylamine availability at the sites of application (application site and manner of occlusion, if any, were unspecified). No overt effects of treatment were noted, other than mild dryness at the application sites and may have been attributable to repeated dosing and evaporation. Terminal necropsy revealed significantly decreased absolute (19%) and relative (12%) heart weights and increased absolute (4-5%) and relative (10-14%) testes weights in mid- and high-dose males. There was neither lost bodyweight nor any microscopic changes indicative of expressed toxicity in these organs. A dose-response relationship was not established for mild splenic congestion in females of all treatment groups and hematological and clinical chemistry findings were not clinically or biologically significant.

Natural Pollution SourcesDiisopropylamine was detected as a volatile constituent of raw beef(1).

안전 데이터

ridadr
UN 1158
포장분류
II
위험 등급
3

Subchronic inhalation toxicity was evaluated in groups of 15 female and 15 male Charles River CD(SD)BR rats exposed to diisopropylamine vapor at mean concentrations (measured with an automatic infrared analyzer system) of 0, 0.1, 0.6 and 2.0 mg/l for 6 h/d, 5 d/week for about 4 weeks. The test atmosphere was generated by metering the test material through a nebulizer and introducing the resulting vapor along with air into the test chamber. There were 3 mortalities in the high-dose group. Clinical observations included eye and respiratory tract irritation and decreased body weights in mid- and high-dose rats and dose-related corneal keratopathy. Hematological studies revealed dose-dependent decreases in mean corpuscular volume, serum chloride, total protein, and albumin as well as dose-dependent increases in serum cholesterol in both sexes; increased red blood cell counts, hemoglobin, and hematocrit measurements in high-dose males and mid- and high-dose females; and lowered white blood cell counts (reduced absolute number of lymphocytes) in treated males. Necropsy revealed inflammatory lesions in the nasal passages of males and females at all levels, thymic and seminal vesicle atrophy in high-dose males, and inflammatory lesions in the trachea, lung and corneas of high-dose males and females.