홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

트리-N-옥틸아민

Trioctylamine

HCID 14227
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1116-76-3
표준 SMILES
CCCCCCCCN(CCCCCCCC)CCCCCCCC
InChIKey
XTAZYLNFDRKIHJ-UHFFFAOYSA-N
분자식
C24H51N
평균 분자량
353.7 g/mol
단동위원소 질량
353.40215063

이름 및 식별자

우선 이름
Trioctylamine
IUPAC
N,N-dioctyloctan-1-amine
현지명
트리-N-옥틸아민
영어명
Tri-n-octylamine
분자식
C24H51N
분자량
353.67

이름 및 동의어

TrioctylamineTRI-N-OCTYLAMINE1116-76-3TricaprylamineTricaprylylamineTri-n-caprylylamine1-Octanamine, N,N-dioctyl-Farmin 08Alamine 336NSC-11034I40965UY86DTXSID3047635
이름 더 보기
트리-n-옥틸아민트리-N-옥틸아민(TRI-N-OCTYLAMINE)트리옥틸아민alamine336alamine308TrioctylaminTNOATA8
RefChem:191858DTXCID1027635214-242-1N,N-dioctyloctan-1-amineAlamine 336SAlamine 3365Alamine 308336S

데이터베이스 식별자

CAS
1116-76-3、68814-95-9
PubChem CID
14227
DTXSID
DTXSID3047635
ChEMBL
CHEMBL3222022
UNII
I40965UY86
EC Number
214-242-1
Nikkaji
J2.126A

물성

구조 계산 물성

XLogP
10.5
극성 표면적
3.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
21
무거운 원자 수
25
형식 전하
0
복잡도
188

실험 및 물리화학적 성질

Chemical Classes · 2건

Nitrogen Compounds -> Amines, Aliphatic

Industrial compound

Density · 2건

0.82 @25 °C

0.809 @25 °C

Viscosity7.862X10-2 Pa.s @ 238.55 K
SolubilityIn water, 0.050 mg/l @ 25 °C
Boiling Point345 °C @760 [mm Hg]
Melting Point · 2건

-34.6 °C

-20 °C

Vapor Pressure · 2건

0.0000549 [mmHg]

0.01 [mm Hg] @20 °C

Surface Tension3.4791X10-2 N/m @ 238.55 K
Heat of Vaporization1.2571X10+8 J/Kmol @ 238.55 K
Physical Description · 2건

Liquid

Colorless liquid; [MSDSonline]

물리화학적 성질

안전 및 규제

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

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 0.4% (1 of 266) of reports.

Danger

H315 (99.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 266 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

유해성 정보

Regulatory Information · 3건

Chemical: 1-Octanamine, N,N-dioctyl-

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

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

Other Safety InformationIMAP assessments - Tertiary aliphatic (C8-12) amines: Human health tier II assessment
Hazards SummaryAn irritant; [MSDSonline]
Hazard Classes and Categories · 3건

Skin Irrit. 2 (99.6%)

Eye irritation - category 2A

Hazardous to the aquatic environment (Acute) - Category 1

Critical Temperature and PressureCritical temperature: 782.0 K; critical pressure: 1.0100X10+6 Pa

안전 및 보호

화학 및 산업

용도 및 제조

Uses · 6건

Used as an extractant for reactor fuel processing and dye identification, an intermediate for quaternary salts, a promoter for dental cement, and a reagent for mineral extraction; Also used in defoliant formulations; [HSDB]

Farming (Pesticides) [Category: Industry]

COMPONENT OF DEFOLIANT FORMULATION

USED AS AN EXTRACTANT FOR REACTOR FUEL PROCESSING.

USED AS AN EXTRACTANT FOR IDENTIFICATION OF DYES.

LIQUID ANION EXCHANGE AGENT FOR URANIUM EXTRACTION

U.S. Production · 3건

2023: 50,000 - <250,000 lb

(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Industry UsesIntermediate
Methods of Manufacturing · 2건

REACTION OF N-OCTYL ALCOHOL WITH AMMONIA IN THE PRESENCE OF HYDROGEN & A CATALYST; CATALYTIC HYDROGENATION OF CAPRYLONITRILE

Production: n-octanol + ammonia (ammoniation)

Formulations/PreparationsA FORMULATION CONTAINING METOXURON MIXED WITH AN EMULSION CONTAINING TRIOCTYLAMINE 50%, ATLOX 4851 B 15%, AND ISOPROPANOL 35% WAS ACTIVE AS A POTATO DEFOLIANT.
General Manufacturing Information · 3건

All Other Basic Organic Chemical Manufacturing

1-Octanamine, N,N-dioctyl-: ACTIVE

ANTHRAQUINONEDISULFONATES & VANADIUM COMPD ARE REMOVED FROM THE STRETFORD-DESULFURIZATION WASTEWATER BY EXTRACTION WITH TRI-N-OCTYLAMINE AT PH 1 TO 2 & SO3H GROUP-II MOLAR RATIO OF APPROX 0.2, FOLLOWED BY SORPTION OF VANADIUM COMPD WITH A CHELATE RESIN AT PH 2 TO 6.

응용 분야

용도Tri-n-octylamine is used as an extractant for organic acids and precious metals.

상·하류 제품 정보

상류 원료

관련 반응

31건
반응 기록 만들기
HRID 148247 반응식
HRID 148247반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 232395 반응식
HRID 232395생성물로uspto-grants-1989_07
HRID 259955 반응식
HRID 259955반응물로uspto-grants-1996_06
HRID 259956 반응식
HRID 259956반응물로uspto-grants-1996_06
HRID 259958 반응식
HRID 259958반응물로uspto-grants-1996_06
HRID 259962 반응식
HRID 259962반응물로uspto-grants-1996_06
HRID 259963 반응식
HRID 259963반응물로uspto-grants-1996_06
HRID 265661 반응식
HRID 265661반응물로uspto-grants-1997_07
1 / 4 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
녹는점
34 °C · 34 °C
끓는 점
164 · 164-168 °C/0.7 mmHg (lit.) 365-367 °C (lit.)
밀도
0.809 g/mL · 0.809 g/mL at 25 °C (lit.)
증기압
0.01 hPa · <0.01 hPa (20 °C)
굴절률
20 · n20/D 1.449(lit.)
인화점
230 °F · >230 °F
저장 조건
30 °C · Store below +30°C.
용해도
0.1 g/mL, · 클로로포름: 0.1 g/mL, 투명, 무색
물리적 상태
저융점 결정질 덩어리
산도 계수 (pKa)
10.08 · 10.08±0.50(Predicted)
Specific Gravity
0.811 · 0.811 (20/4℃)
색상
흰색에서 황백색까지
수용성
클로로포름과 혼합 가능. 물과 섞이지 않습니다.
BRN
1210618 · 1210618
Henry's Law Constant
7 · 7.0×10-4 mol/(m3Pa) at 25℃, HSDB (2015)
InChI
1S/C24H51N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
InChIKey
XTAZYLNFDRKIHJ-UHFFFAOYSA-N
SMILES
CCCCCCCCN(CCCCCCCC)CCCCCCCC
NIST
1 · 1-Octanamine, N,N-dioctyl-(1116-76-3)
EPA
Trioctylamine (1116-76-3)

화학적 성질

Tri-n-octylamine is clear colorless liquid

Disposal Methods · 1건

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.

Protective Action Criteria (PAC) · 6건

17 [mg/m3]

180 [mg/m3]

1100 [mg/m3]

6.0 [mg/m3]

66 [mg/m3]

400 [mg/m3]

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 22,600(SRC), determined from a measured water solubility of 0.050 mg/l(2) and a regression-derived equation(3), indicates that tri-n-octylamine is expected to be immobile in soil(SRC). Volatilization of tri-n-octylamine from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.4X10-2 atm-cu m/mole(SRC), using a fragment constant estimation method(4). However, adsorption to soil is expected to attenuate volatilization. Tri-n-octylamine is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 5.5X10-5 mm Hg(SRC), determined from a fragment constant method(5). Biodegradation is not expected to be an important fate process. Tri-n-octylamine, present at 30 mg/l, reached 0% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 100 mg/l and the Japanese MITI test(2).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 22,600(SRC), determined from a measured water solubility of 0.050 mg/l(2) and a regression-derived equation(3), indicates that tri-n-octylamine is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.4X10-2 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 5 hrs and 7 days, respectively(SRC). However, adsorption to suspended solids and sediment is expected to attenuate volatilization. According to a classification scheme(5), BCF values of 23 to 143 in fish(2), suggest the potential for bioconcentration in aquatic organisms is low to high(SRC). Trialkyl amines, including tri-n-octylamine, are recalcitrant, showing little degradation in standard BOD tests(7). Tri-n-octylamine, present at 30 mg/l, reached 0% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 100 mg/l and the Japanese MITI test(2) which suggests that biodegradation is not a fast environmental fate process(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), tri-n-octylamine, which has an estimated vapor pressure of 5.5X10-5 mm Hg at 25 °C(2), is expected to exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase tri-n-octylamine 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 3 hrs(SRC), calculated from its rate constant of 1.2X10-10 cu cm/molecule-sec at 25 °C(3) determined using a structure estimation method(3). Particulate-phase tri-n-octylamine may be removed from the air by wet and dry deposition(SRC).

Soil Adsorption/Mobility · 1건

The Koc of tri-n-octylamine is estimated as 22,600(SRC), using a measured water solubility of 0.050 mg/l(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that tri-n-octylamine is expected to be immobile in soil.

Artificial Pollution Sources · 1건

Tri-n-octylamine's production and use as a mineral extraction reagent(1), an extractant for reactor fuel processing(2), and its use as an extractant for identification of dyes(3) may result in its release to the environment through various waste streams(SRC).

Environmental Biodegradation · 1건

AEROBIC: Trialkyl amines, including tri-n-octylamine, are recalcitrant, showing little degradation in standard BOD tests(1). Tri-n-octylamine, present at 30 mg/l, reached 0% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 100 mg/l and the Japanese MITI test(2).

Environmental Bioconcentration · 1건

During a 6 week period, BCFs of 23-101 and 25-143 were determined for tri-n-octylamine at concentrations of 50 and 5 mg/l, respectively(1). According to a classification scheme(2), these BCF values suggests the potential for bioconcentration in aquatic organisms is low to high.

Volatilization from Water/Soil · 1건

The Henry's Law constant for tri-n-octylamine is estimated as 1.4X10-2 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that tri-n-octylamine is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 5 hrs hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 7 days(SRC). Tri-n-octylamine's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The estimated volatilization half-life from a model pond is 63 years if adsorption is considered versus 22 days if adsorption is not(4). Tri-n-octylamine is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 5.5X10-5 mm Hg(SRC), determined from a fragment constant method(3).

Non-Human Toxicity ExcerptsFISH (SUCH AS HARDYHEADS) SHOWED A 96 HR TOLERANCE LIMIT OF 18 MG/L TO ALAMINE 336. IT WAS TOXIC TO CHLAMYDOMONAS AT CHRONIC EXPOSURE OF 2 MG/L.
Environmental Abiotic Degradation · 1건

The rate constant for the vapor-phase reaction of tri-n-octylamine with photochemically-produced hydroxyl radicals has been estimated as 1.2X10-10 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 3 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Tri-n-octylamine may undergo hydrolysis in the environment due to the presence of hydrolyzable functional groups(2).

Probable Routes of Human ExposureOccupational exposure to tri-n-octylamine may occur through dermal contact with this compound at workplaces where tri-n-octylamine is produced or used. (SRC)
Environmental Fate/Exposure Summary · 1건

Tri-n-octylamine's production and use as a mineral extraction reagent, an extractant for reactor fuel processing, and its use as an extractant for identification of dyes may result in its release to the environment through various waste streams. If released to air, an estimated vapor pressure of 5.5X10-5 mm Hg at 25 °C indicates tri-n-octylamine will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase tri-n-octylamine will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 3 hrs. Particulate-phase tri-n-octylamine will be removed from the atmosphere by wet and dry deposition. If released to soil, tri-n-octylamine is expected to be immobile based upon an estimated Koc of 22,600. Volatilization from moist soil surfaces may be an important fate process based upon an estimated Henry's Law constant of 1.4X10-2 atm-cu m/mole. However, adsorption to soil is expected to attenuate volatilization. Tri-n-octylamine will not volatilize from dry soil surfaces based upon its vapor pressure. Biodegradation is not expected to be an important fate process as suggested by the lack of biodegradation in the Japanese MITI test. If released into water, tri-n-octylamine is expected to adsorb to suspended solids and sediment based upon the estimated Koc. Volatilization from water surfaces is expected to be an important fate process based upon this compound's estimated Henry's Law constant. However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. BCF values ranging from 23-143 suggest bioconcentration in aquatic organisms is low to high. Occupational exposure to tri-n-octylamine may occur through dermal contact with this compound at workplaces where tri-n-octylamine is produced or used. (SRC)

Antidote and Emergency Treatment · 2건

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patent can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . Cover skin burns with dry sterile dressings after decontamination ... . /Organic bases/Amines and related compounds/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious or has severe pulmonary edema. Positive-pressure ventilation techniques with a bag-valve-mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Administer 1% solution methylene blue if patient is symptomatic with severe hypoxia, cyanosis, and cardiac compromise not responding to oxygen. ... . Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. If patient is unresponsive to these measures, vasopressors may be helpful. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Organic bases/Amines and related compounds/

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
RG8225000
ridadr
UN3082
독성
LD50 intraperitoneal in rat: 1gm/kg
HS 번호
29211980
risk_code
36/37/38-51/53
hazard_code
Xi,N
safety_code
26-61-36/37/39-29
포장분류
III
위험 등급
9
기존화학 물질
KE-34718
F 고인화성물질
10-23
자연 발화 온도
315 °C
Hazard Classifications
Aquatic Chronic 2Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT RE 1 Oral
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
유해 물질 데이터
1116-76-3(Hazardous Substances Data)
1-옥타놀산화알루미늄

하류 제품

IMINOCTADINE TRIACETATE