N-Butyldiethanolamine (HCID 7620)

이름 및 식별자

우선 이름: N-Butyldiethanolamine
IUPAC: 2-[butyl(2-hydroxyethyl)amino]ethanol
현지명: 부틸말론산디에틸에스테르
영어명: 2,2'-(Butylimino)diethanol
분자식: C8H19NO2
분자량: 161.24

이름 및 동의어

N-Butyldiethanolamine102-79-4ButyldiethanolamineEthanol, 2,2'-(butylimino)bis-2,2'-(Butylimino)diethanol2,2'-ButyliminodiethanolButylbis(2-hydroxyethyl)amineN,N-Bis(2-hydroxyethyl)butylamineN-Butyl-2,2'-iminodiethanolN-Butyl-N,N-bis(hydroxyethyl)amineEthanol, 2,2'-(butylimino)di-N-Butyl-N,N-bis(2-hydroxyethyl)amine

이름 더 보기

N-부틸다이에탄올아민N-부틸디에탄올아민N-뷰틸다이에탄올아민부틸말론산디에틸에스테르부틸아미노(노르말)2,2'-디에탄올부틸다이에탄올아민BIDEBDEATIMTEC-BBSBB00884ButyldiethanolaminTIMTEC-BB SBB008846Butlydiethanolamine2,2'-(Butylimino)diButylaminodiethanolButyliminodiethanol

butyl diethanolamine2,2'-(Butylimino)bisethanolNSC 60214Bis(beta-hydroxyethyl)butylamineDTXSID10443542-(N-Butyl-N-2-hydroxyethylamino)ethanolEINECS 203-055-0BRN 1739642

데이터베이스 식별자

CAS: 102-79-4
PubChem CID: 7620
DTXSID: DTXSID1044354
ChEMBL: CHEMBL3181802
UNII: H963NLD48W
EC Number: 203-055-0
Nikkaji: J5.515H

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 43.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 7
무거운 원자 수: 11
형식 전하: 0
복잡도: 72.5

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Ethanolamines

SpringerMaterials PropertiesOptical coefficient

Food Contact Substances · 2건

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical Description · 2건

Liquid

Colorless to pale yellow liquid with a mild odor; [Taminco MSDS]

Collision Cross Section136.3 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID1044354]

물리화학적 성질

녹는점: -70 °C · -70 °C (lit.)
끓는 점: 273 · 273-275 °C/741 mmHg (lit.)
밀도: 0.986 g/mL · 0.986 g/mL at 25 °C (lit.)
증기 밀도: 5.5 · 5.5 (vs air)
증기압: 1 mm · 1 mm Hg ( 25 °C)
굴절률: 20 · n20/D 1.463(lit.)
인화점: 260 °F · 260 °F
저장 조건: 30 °C · Store below +30°C.
산도 계수 (pKa): 14.41 · 14.41±0.10(Predicted)
물리적 상태: 가루
Specific Gravity: 0.97 · 0.970 (20/4℃)
색상: 적갈색부터 진한 갈색까지
수소이온지수(pH): 10.8 · 10.8-11.1 (100g/l, H2O, 20℃)
폭발한계: 1.1 · 1.1-6.5%(V)
수용성: 혼용 가능
BRN: 1739642 · 1739642
안정성: 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
화장품 원료 기능: 버퍼링
InChI: 1S/C8H19NO2/c1-2-3-4-9(5-7-10)6-8-11/h10-11H,2-8H2,1H3
InChIKey: GVNHOISKXMSMPX-UHFFFAOYSA-N
SMILES: CCCCN(CCO)CCO
LogP: 0.58 at · 0.58 at 25℃
NIST: 2 · Ethanol, 2,2'-(butylimino)bis-(102-79-4)
EPA: 2 · Ethanol, 2,2'-(butylimino)bis- (102-79-4)

화학적 성질

colourless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H314 (20.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 310 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

유해성 정보

Regulatory Information · 4건

Chemical: Ethanol, 2,2'-(butylimino)bis-

Ethanol, 2,2'-(butylimino)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2,2'-(butylimino)bis- 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: 19-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/17804

Ethanol, 2,2'-(butylimino)bis-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Ethanol, 2,2'-(butylimino)bis-: Environment tier I assessment

Hazards SummaryA mild skin irritant; Corrosive to eyes; No sensitization observed in experimental animals; [Taminco MSDS] See 2-N-Dibutylaminoethanol.

Hazard Classes and Categories · 2건

Skin Corr. 1B (20.6%)

Eye damage - category 1

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: KK0525000
독성: LD50 orally in Rabbit: 4800 mg/kg
HS 번호: 29221980
risk_code: 34-37
hazard_code: C
safety_code: 26-36/37/39-45
기존화학 물질: KE-04314
자연 발화 온도: 260 °C
Hazard Classifications: Eye Dam. 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

UsesUsed as an additive; [Taminco MSDS]

U.S. Production2023: 1,000,000 - <8,500,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesIntermediate

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

Ethanol, 2,2'-(butylimino)bis-: ACTIVE

응용 분야 · 2건

용도N-Butyldiethanolamine (H2bdea, N-n-butyldiethanolamine) has been used in the synthesis of the following complexes (Hdnba = 3,5-dinitrobenzoic acid, Hpta = p-toluic acid, H2tpa = terephthalic acid):new mononuclear [Cu(Hbdea)2]·2Hdnba , dinuclear [Cu2(μ-Hbdea)2(N3)2] and [Cu2(μ-Hbdea)2(pta)2]·2H2O1D polymeric [Cu2(μ-Hbdea)2(μ-tpa)]n·2nH2O copper(II) compoundstetranuclear 3d-4f single-molecule magnet (SMM) complexes

일반 설명N-Butyldiethanolamine (N-n-butyldiethanolamine) is a tertiary amine. It acts as an N-substituted diethanolamine ligand. It reacts with chromium(II) and lanthanide(III)/rare earth salts (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Y) in the presence of coligands to afford three series of isostructural 1:1 3d(Cr(III))/4f(Ln(III)) coordination cluster compounds.

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]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

연결된 노트

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부틸말론산디에틸에스테르

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