基本情報
- CAS
142-26-7- 標準SMILES
CC(=O)NCCO- InChIKey
PVCJKHHOXFKFRP-UHFFFAOYSA-N- 分子式
- C4H9NO2
- 平均分子量
- 103.12 g/mol
- 単同位体質量
- 103.06332853
概要
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.
名称と識別子
- 優先名称
- Acetylethanolamine
- IUPAC
- N-(2-hydroxyethyl)acetamide
- 現地名
- 2-アセトアミドエタノール
- 英語名
- 2-Acetylaminoethanol
- 分子式
- C4H9NO2
- 分子量
- 103.12
名称と別名
名称をさらに表示
データベース識別子
- CAS
142-26-7- PubChem CID
- 8880
- DTXSID
DTXSID6044804- ChEMBL
CHEMBL3188272- ChEBI
CHEBI:74687- UNII
- A9O0818TWD
- EC Number
- 205-530-8
- Nikkaji
- J2.542I
物性
構造計算による物性
- XLogP
- -1.1
- 極性表面積
- 49.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 62.7
実験および物理化学的性質
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
物理化学的性質
- 融点
- 15.8 °C · 15.8 °C
- 沸点
- 151 · 151-155 °C/5 mmHg (lit.)
- 比重(密度)
- 1.12 g/mL · 1.12 g/mL at 25 °C (lit.)
- 蒸気圧
- 0.368 · 0.368-10.5Pa at 25-70℃
- 屈折率
- 20 · n20/D 1.472(lit.)
- 闪点
- 350 °F · 350 °F
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- Chloroform (Sparingly), Methanol (Slightly)
- 酸解離定数(Pka)
- 14.56 · 14.56±0.10(Predicted)
- 外見
- 液体
- 色
- クリアホワイト~イエロー
- 水溶解度
- 1 e+006mg/L@25℃ · 水に可溶、1e+006mg/L@25℃(est)、エタノール、エーテルに可溶。
- 化粧品成分の機能
- 界面活性剤 - 洗浄ヘアコンディショニング保湿剤スキンコンディショニング界面活性剤 - 泡立ち促進剤粘度制御
- 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
- 表面張力
- 72.1 mN/m · 72.1mN/m at 1g/L and 21.4℃
- CAS データベース
- 142 · 142-26-7(CAS DataBase Reference)
- NISTの化学物質情報
- Acetamide, N-(2-hydroxyethyl)-(142-26-7)
- EPAの化学物質情報
- Acetamide, N-(2-hydroxyethyl)- (142-26-7)
化学的性質
化学的特性clear viscous white to yellow liquid
安全と法規制
GHS分類
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.
危険有害性情報
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.
安全と保護具
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.
毒性情報
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.
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- AC3120000
- hs_code
- 29241990
- risk_code
- 36/37/38-41-37/38
- 消防法
- 危-4-3-III
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- ストレージクラス
- 10 - Combustible liquids
- 有毒物質データの
- 142-26-7(Hazardous Substances Data)
化学と産業
用途と製造
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]
応用分野
使用2-Acetylaminoethanol is a humectant recommended for use in emulsions.
上流・下流製品情報
上流原料
下流製品
サプライヤー100 社
補足説明
定義本品は、酢酸(*)のモノエタノールアミドであり、次の化学式で表される。参照表示名称:酢酸
定義ChEBI: 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.
関連反応
化合物ノート
読み込み中…