기본 정보
- CAS
120-07-0- 표준 SMILES
OCCN(CCO)c1ccccc1- InChIKey
OJPDDQSCZGTACX-UHFFFAOYSA-N- 분자식
- C10H15NO2
- 평균 분자량
- 181.23 g/mol
- 단동위원소 질량
- 181.11027872
개요
2-[(2-Hydroxyethyl)anilino]ethan-1-ol is a dialkylarylamine and a tertiary amino compound.
이름 및 식별자
- 우선 이름
- N-Phenyl diethanolamine
- IUPAC
- 2-[N-(2-hydroxyethyl)anilino]ethanol
- 현지명
- 2-2'-(페닐이미노)디에탄올
- 영어명
- N-Phenyldiethanolamine
- 분자식
- C10H15NO2
- 분자량
- 181.23
이름 및 동의어
N-Phenyldiethanolamine120-07-02,2'-(Phenylimino)diethanolN-Phenyl diethanolamineDiethanolanilinePHENYLDIETHANOLAMINEN,N-DiethanolanilineDiethanolphenylamineDiethanolaminobenzenePhenyl diethanolamineN,N-DioxyethylanilinePhenylbis(2-hydroxyethyl)amine
이름 더 보기
2-2'-(페닐이미노)디에탄올PDEAn-phenylN,N-DIHYDROXYETHYLANILINEAnilinodiethanol2,2'-(phenylazanediyl)diethanol
Ethanol, 2,2'-(phenylimino)bis-N,N-Bis(2-hydroxyethyl)anilineN-Phenyl-N,N-diethanolamine2,2'-(Phenylamino)diethanolEmery 5703DihydroxyethylanilineN,N-Di(2-hydroxyethyl)aniline2,2'-Phenyliminodiethanol
데이터베이스 식별자
- CAS
120-07-0- PubChem CID
- 8416
- DTXSID
DTXSID5021962- ChEMBL
CHEMBL3188755- ChEBI
CHEBI:194838- UNII
- VE25V5K077
- EC Number
- 204-368-5
- Nikkaji
- J44.125B
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 43.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 118
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Ethanolamines
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Vapor Pressure0.00000202 [mmHg]
Physical Description
Other Solid
White or light brown solid with an amine-like odor; [Alfa Aesar MSDS]
Collision Cross Section137.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5021962]
물리화학적 성질
- 녹는점
- 56 · 56-58 °C(lit.)
- 끓는 점
- 270 °C · 270 °C
- 밀도
- 1.1 · 1.1
- 증기 밀도
- 1 · >1 (vs air)
- 증기압
- 0.01 mm · <0.01 mm Hg ( 20 °C)
- 굴절률
- 1.5464 · 1.5464 (estimate)
- 인화점
- 200 °C · 200 °C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 3 g/L · 3g/L
- 산도 계수 (pKa)
- 14.31 · 14.31±0.10(Predicted)
- 물리적 상태
- 결정질 질량, 결정 또는 덩어리
- 색상
- 흰색에서 갈색으로
- 수소이온지수(pH)
- 8.2 · 8.2 (3g/l, H2O, 50℃)
- 수용성
- 45 g/L · 45g/L(20℃)
- BRN
- 2096832 · 2096832
- 안정성
- 흡습성, 감광성
- InChI
- 1S/C10H15NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
- InChIKey
- OJPDDQSCZGTACX-UHFFFAOYSA-N
- SMILES
- OCCN(CCO)c1ccccc1
- LogP
- 0.63 at · 0.63 at 25℃
- EPA
- N-Phenyldiethanolamine (120-07-0)
화학적 성질
white to Yellowish crystals. Soluble in benzene, ethanol and ether.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (60.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 325 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Ethanol, 2,2'-(phenylimino)bis-
Ethanol, 2,2'-(phenylimino)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2,2'-(phenylimino)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: 26-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19993
2,2'-Phenyliminodiethanol: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mild skin and severe eye irritant; Causes convulsions, muscle weakness, cyanosis, and respiratory depression in oral lethal-dose studies of mice; Causes pigmented or nucleated red blood cells and changes in erythrocyte count in 30-day intermittent oral studies of rats; [RTECS] A severe eye irritant that may cause serious injury; Prolonged or repeated exposure may cause organ injury; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (60.6%)
독성 정보
Adverse EffectsNeurotoxin - Other CNS neurotoxin
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- KM2100000
- 독성
- LD50 orally in Rabbit: 3400 mg/kg LD50 dermal Rabbit > 2000 mg/kg
- HS 번호
- 29221980
- risk_code
- 22-41-48/20/21/22-37/38
- hazard_code
- Xn
- safety_code
- 26-39-36/37/39
- 기존화학 물질
- KE-28387
- 자연 발화 온도
- 380 °C DIN 51794
- Hazard Classifications
- Aquatic Chronic 3Eye Dam. 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesChemical reaction regulator
Industry UsesChemical reaction regulator
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Ethanol, 2,2'-(phenylimino)bis-: ACTIVE
응용 분야
용도N-Phenyldiethanolamine can be used for hair coloring agents. It can also be used as a resin composition and can be used to produce cured film and semiconductor device.
제조 방법
N-Phenyldiethanolamine is obtained by the addition of aniline and ethylene oxide.
상·하류 제품 정보
상류 원료
하류 제품
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