기본 정보
- CAS
142-26-7- 표준 SMILES
CC(=O)NCCO- InChIKey
PVCJKHHOXFKFRP-UHFFFAOYSA-N- 분자식
- C4H9NO2
- 평균 분자량
- 103.12 g/mol
- 단동위원소 질량
- 103.06332853
개요
N-acetylethanolamine is a member of the class of ethanolamines that is 2-aminoethanol in which one of the hydrogens of the amino group is replaced by an acetyl group. It has a role as a metabolite. It is a member of acetamides, a member of ethanolamines and a monocarboxylic acid amide.
이름 및 식별자
- 우선 이름
- Acetylethanolamine
- IUPAC
- N-(2-hydroxyethyl)acetamide
- 현지명
- 2-아세트아미도에탄올
- 영어명
- 2-Acetylaminoethanol
- 분자식
- C4H9NO2
- 분자량
- 103.12
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
142-26-7- PubChem CID
- 8880
- DTXSID
DTXSID6044804- ChEMBL
CHEMBL3188272- ChEBI
CHEBI:74687- UNII
- A9O0818TWD
- EC Number
- 205-530-8
- Nikkaji
- J2.542I
물성
구조 계산 물성
- XLogP
- -1.1
- 극성 표면적
- 49.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 62.7
실험 및 물리화학적 성질
Cosmetics
Cosmetic ingredients (Acetamide MEA) -> CIR (Cosmetic Ingredient Review)
Humectant; Antistatic
Color/Form
NEEDLES (ACETONE)
BROWN, VISCOUS LIQUID
Flash Point
176.6 °C
350 °F OC
물리화학적 성질
- 녹는점
- 15.8 °C · 15.8 °C
- 끓는 점
- 151 · 151-155 °C/5 mmHg (lit.)
- 밀도
- 1.12 g/mL · 1.12 g/mL at 25 °C (lit.)
- 증기압
- 0.368 · 0.368-10.5Pa at 25-70℃
- 굴절률
- 20 · n20/D 1.472(lit.)
- 인화점
- 350 °F · 350 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 14.56 · 14.56±0.10(Predicted)
- 물리적 상태
- 액체
- 색상
- 흰색에서 노란색으로 맑아짐
- 수용성
- 1 e+006 · 물에 용해됨, 1e+006 mg/L @ 25°C(est), 알코올 및 에테르에 용해됨.
- 화장품 원료 기능
- 계면활성제 - 세정헤어 컨디셔닝보습제피부 컨디셔닝계면활성제 - 거품 증진제점도 조절
- InChI
- 1S/C4H9NO2/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)
- InChIKey
- PVCJKHHOXFKFRP-UHFFFAOYSA-N
- SMILES
- CC(=O)NCCO
- LogP
- -0.117 at · -0.117 at 22.2℃ and pH5.4
- 표면장력
- 72.1 mN/m · 72.1mN/m at 1g/L and 21.4℃
- NIST
- Acetamide, N-(2-hydroxyethyl)-(142-26-7)
- EPA
- Acetamide, N-(2-hydroxyethyl)- (142-26-7)
화학적 성질
clear viscous white to yellow liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 40% (32 of 80) of reports.
Danger
H315 (51.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 80 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Acetamide, N-(2-hydroxyethyl)-
Acetamide, N-(2-hydroxyethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetamide, N-(2-hydroxyethyl)- 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: 08-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24151
Acetylethanolamine: Does not have an individual approval but may be used under an appropriate group standard
NFPA Hazard Classification
1 - Materials that, under emergency conditions, can cause significant irritation.
1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.
0 - Materials that in themselves are normally stable, even under fire conditions.
안전 및 보호
Storage Conditions
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
Toxicity Summary
The CIR Expert Panel concluded that the ethanolamides listed subsequently are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating. The Expert Panel cautioned that these ingredients should not be used in cosmetic products in which N-nitroso compounds may be formed...Acetamide MEA
Safe for use in cosmetics, with qualifications
Non-Human Toxicity Excerpts
HYDROXYETHYL ACETAMIDE RATED 3 ON RABBIT EYES. /TESTED EXTERNALLY ON EYES OF RABBITS & HAVE BEEN RATED NUMERICALLY ON SCALE OF 1 TO 10 ACCORDING TO DEGREE OF INJURY OBSERVED AFTER 24 HR, PAYING PARTICULAR ATTENTION TO CONDITION OF CORNEA. MOST SEVERE INJURIES HAVE BEEN RATED 10./
WHEN INJECTED IV INTO RABBITS FOR 7 DAYS, N-ACETYLETHANOLAMINE (30-34 MG/G/DAY) DECR ASPARTATE LEVEL IN BRAIN & KIDNEY. ADMIN IN SINGLE INJECTION, N-ACETYLETHANOLAMINE INCR LEVELS OF GLUTAMATE, ASPARTATE, & GABA IN BRAIN.
N-ACETYLETHANOLAMINE (42 MG/KG) GIVEN IP TO RATS INCR GLYCOGEN & ATP IN LIVER, KIDNEYS, BRAIN, & HEART.
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- AC3120000
- HS 번호
- 29241990
- risk_code
- 36/37/38-41-37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
- KE-20485
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
- 유해 물질 데이터
- 142-26-7(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Uses
CIR ingredient: Acetamide MEA
Used as a plasticizer, humectant (paper products, glues, cork, and inks), and textile conditioner; [Hawley]
Pulp and Paper Processing [Category: Industry]
응용 분야
용도2-Acetylaminoethanol is a humectant recommended for use in emulsions.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
추가 설명
정의ChEBI: A member of the class of ethanolamines that is 2-aminoethanol in which one of the hydrogens of the amino group is replaced by an acetyl group.
관련 반응
화합물 노트
불러오는 중…