트리알릴아민

Triallylamine

HCID 7617CAS 102-70-5

기본 정보

표준 SMILES
C=CCN(CC=C)CC=C
InChIKey
VPYJNCGUESNPMV-UHFFFAOYSA-N
분자식
C9H15N
평균 분자량
137.22 g/mol
단동위원소 질량
137.12044948

개요

Triallylamine appears as a colorless liquid with a fishlike odor. Density 0.800 g / cm3 and insoluble in water. Hence floats on water. Flash point 103 °F. Vapors heavier than air. May irritate skin and eyes. Used to make other chemicals.

이름 및 식별자

우선 이름
Triallylamine
IUPAC
N,N-bis(prop-2-enyl)prop-2-en-1-amine
현지명
트리알릴아민
영어명
Triallylamine
분자식
C9H15N
분자량
137.22

이름 및 동의어

TRIALLYLAMINE102-70-5Tris(2-propenyl)amine2-Propen-1-amine, N,N-di-2-propenyl-N,N-Di-2-propenyl-2-propen-1-amineDTXSID50261742-Propen-1-amine, N,N-di-2-propen-1-yl-B6N19XC04RNSC-32635DTXCID506174RefChem:190825203-048-2
이름 더 보기
트리-2-프로페닐아민트리알릴아민TAATrialkylamineN,N-Diallyl-2-propen-1-amine(CH2=CHCH2)3NtertiaryaminetriallylaMateTRIALLYAMINE HCLTriallylamine 99%
N,N-bis(prop-2-enyl)prop-2-en-1-amineN,N-diallylprop-2-en-1-amineMFCD00026093Triallyl Aminetris(prop-2-en-1-yl)amineCCRIS 4876HSDB 2904EINECS 203-048-2

데이터베이스 식별자

CAS
102-70-5
PubChem CID
7617
DTXSID
DTXSID5026174
ChEMBL
CHEMBL3188834
ChEBI
CHEBI:192451
UNII
B6N19XC04R
EC Number
203-048-2
Nikkaji
J4.019C

물성

구조 계산 물성

XLogP
2.6
극성 표면적
3.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
6
무거운 원자 수
10

실험 및 물리화학적 성질

Chemical Classes · 2건

Nitrogen Compounds -> Amines, Aliphatic

Flammable agents - 2nd degree

SpringerMaterials PropertiesOptical coefficient
LogP · 2건

log Kow= 2.59

2.59

OdorAmmonia-like
Density · 2건

0.809 at 68 °F (NTP, 1992) - Less dense than water; will float

0.809 @ 20 °C

Viscosity2.7783X10-3 Pa.s @ 200.00 K

물리화학적 성질

녹는점
-70 °C · -70°C
끓는 점
150 · 150-151 °C (lit.)
밀도
0.79 g/mL · 0.79 g/mL at 25 °C (lit.)
증기 밀도
4.73 · 4.73 (vs air)
증기압
90 mm · 90 mm Hg ( 80 °C)
굴절률
20 · n20/D 1.451(lit.)

화학적 성질

Triallylamine is a flammble liquid. Triallylamine can be detected at 0.5 ppm and is severely irritating at 75 ppm.

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, 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)

Aggregated GHS information provided per 165 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H226: Flammable liquid and vapor [Warning Flammable liquids]

유해성 정보

Regulatory Information · 5건

Chemical: 2-Propen-1-amine, N,N-di-2-propenyl-

2-Propen-1-amine, N,N-di-2-propen-1-yl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propen-1-amine, N,N-di-2-propen-1-yl- 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: 14-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22309

2-Propen-1-amine, N,N-di-2-propenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

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 · 2건

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

· Flammable/combustible material.

Fire Potential · 3건

MODERATE FIRE RISK...

DANGEROUS, WHEN EXPOSED TO HEAT OR FLAME.

Flammable liquid when exposed to heat, flame, or oxidizers.

Health Hazards · 2건

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

· May cause toxic effects if inhaled or ingested.

Hazards Summary · 1건

Subjects recognize an offensive odor at about 0.5 ppm and have more severe symptoms of coughing and nausea at 75-100 ppm. In animal studies, it can cause pneumonitis and liver/kidney injury after heavy inhalation exposures. Death occurs after repeated exposures to 100-200 ppm. [HSDB] Corrosive to the skin, respiratory tract, and eyes; May cause halo vision at lower concentrations; May induce acute pulmonary edema; Causes dizziness at 100 ppm; [CHEMINFO] Triallylamine is a skin irritant. [Quick CPC]

안전 및 보호

Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
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 · 2건

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:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Fire Fighting Procedures · 2건

FOAM, ALCOHOL FOAM, FOG.

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources.

Storage Conditions · 1건

IN GENERAL, MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS ... SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, & SHOULD BE PERIODICALLY INSPECTED ... . INCOMPATIBLE MATERIALS SHOULD BE ISOLATED FROM EACH OTHER.

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 611(SRC), determined from a measured log Kow of 2.59(2) and a regression-derived equation(3), indicates that triallylamine is expected to have low mobility in soil(SRC). According to the Henry's Law constant of 2.63X10-4 atm-cu m/mole, derived from its vapor pressure, 3.64 mm Hg(5), and water solubility, 2500 mg/l, volatilization from moist soil surfaces is expected. However, the pKa of triallylamine is 8.31(6), indicating that this compound will partially exist in the protonated form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts. Thus volatilization from moist soil surfaces is not expected to be an important fate process. Furthermore, the pKa suggests that the mobility of the compound will be further reduced. The potential for volatilization of triallylamine from dry soil surfaces may exist(SRC) based upon a vapor pressure of 3.64 mm Hg(5).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 611(SRC), determined from a measured log Kow of 2.59(2) and a regression-derived equation(3), indicates that triallylamine is expected to adsorb to suspended solids and sediment(SRC). Adsorption will be enhanced as the pKa of triallylamine is 8.31(8), indicating that this compound will exist in the protonated form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts. Based upon an estimated Henry's Law constant of 2.63X10-4 atm-cu m/mole, derived from its vapor pressure, 3.64 mm Hg(4), and water solubility, 2500 mg/l(7), volatilization may occur(3). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 7 hours and 6 days, respectively(SRC). However the existence of the compound in the protonated form will attenuate volatilization and thus it will not be an important fate process. According to a classification scheme(5), a BCF of 2.0-4.8(9), and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low. Biodegradation may not be an important fate process. Triallylamine, present at 100 mg/l, reached 1% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/l and the Japanese MITI test(9).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), triallylamine, which has a vapor pressure of 3.64 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase triallylamine 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 2 hrs(SRC), calculated from its rate constant of 1.7X10-10 cu cm/molecule-sec at 25 °C(3), determined using a structure estimation method(3).

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Soil Adsorption/Mobility · 1건

The Koc of triallylamine is estimated as 611(SRC), using a log Kow of 2.59(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that triallylamine is expected to have low mobility in soil. The pKa of triallylamine is 8.31(4), indicating that this compound will partially exist in the protonated form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts. Thus mobility of triallylamine is further reduced.

Human Toxicity Excerpts · 4건

... RECOGNIZABLE @ 0.5 PPM, MUCOUS MEMBRANE IRRITATION OR CHEST DISCOMFORT IN SOME @ 12.5 PPM, INCREASINGLY FREQUENT SYMPTOMS TO 50 PPM, IRRITANT SYMPTOMS MORE SEVERE @ 75 TO 100 PPM WITH UNPLEASANT SYSTEMIC SYMPTOMS INCL NAUSEA, VERTIGO, & HEADACHE.

Triallyl amine /vapors on human subjects/ @ 0.5 ppm had noticeable but musty rather than offensive odor. At 50 to 100 ppm it caused increasing irritation, coughing ... .

In general allyl amines irritated nose & throat @ lower concn than were irritant to eyes. Vapors are so unpleasant that it is unlikely human beings would voluntarily submit to systematically dangerous conc. /Allyl amines/

UNLIKE SATURATED LOWER ALKYLAMINES, SECONDARY & TERTIARY ALLYLAMINES ARE LESS TOXIC THAN MONOALLYLAMINE. ...DECR ACUTE ORAL & PERCUTANEOUS TOXICITY FROM MONO-ALLYLAMINE TO TRIALLYLAMINE...TRIALLYLAMINE SHOWED INCR RELATIVE TOXICITY AS COMPARED TO DIALLYLAMINE ON INHALATION.

Artificial Pollution Sources · 1건

Triallylamine's use as an intermediate in organic synthesis(1), its use as an unsaturated polyester resin comonomer and in crosslinking comonomers(2), and its use as an initiator for the polymerization of butadiene (3) may result in its release to the environment through various waste streams(SRC).

Environmental BiodegradationAEROBIC: Triallylamine, present at 100 mg/l, reached 1% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/l and the Japanese MITI test(1).

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
XX5950000
ridadr
UN 2610
HS 번호
29211990
risk_code
10-20/21/22-34

화학 및 산업

용도 및 제조

Uses · 5건

Used as a chemical intermediate to produce ion exchange resins and rubber; [HSDB]

CHEMICAL INTERMEDIATE FOR ION EXCHANGE RESINS & RUBBER

Intermediate

Used as unsaturated polyester resin comonomer; crosslinking comonomer

As an initiator for the polymerization of butadiene

U.S. Production · 3건

2023: 50,000 - <250,000 lb

(1972) 4.54X10+5 GRAMS (ALLYLAMINES)

(1975) 9.08X10+5 GRAMS (ALLYLAMINES)

Consumption PatternsESSENTIALLY 100% AS CHEMICAL INTERMEDIATE
Consumer UsesIntermediate
Industry UsesIntermediate
Methods of ManufacturingProduction: allyl chloride + ammonia (amine formation; coproduced with diallylamine/allylamine)

응용 분야

용도Triallylamine is used in organic synthesis.Triallylamine has been proposed as a catalyst for the production of polyesters and as an initiator for the polymerization of butadiene.

일반 설명A colorless liquid with a fishlike odor. Density 0.800 g / cm3 and insoluble in water. Hence floats on water. Flash point 103°F. Vapors heavier than air. May irritate skin and eyes. Used to make other chemicals.

제조 방법

생산 방법Triallylamine is manufactured using allyl chloride and ammonia under heat and pressure. It is used as a solvent and in organic syntheses.

상·하류 제품 정보

공급사50 곳

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]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

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