CAS 111-57-9 N-Stearoylethanolamine (HCID 27902)

名称と識別子

優先名称: N-Stearoylethanolamine
IUPAC: N-(2-hydroxyethyl)octadecanamide
現地名: N-(2-ヒドロキシエチル)ステアロアミド
英語名: Stearoyl ethanolamide
分子式: C20H41NO2
分子量: 327.55

名称と別名

N-(2-Hydroxyethyl)octadecanamide111-57-9N-stearoylethanolamineStearic ethanolamideN-(Hydroxyethyl)stearamideOCTADECANAMIDE, N-(2-HYDROXYETHYL)-Monoethanolamine stearic acid amide03XV449Q24DTXSID9042178RefChem:825493DTXCID7022178Stearoyl ethanolamide

名称をさらに表示

N-(2-ヒドロキシエチル)ステアリン酸アミドN-ステアロイルエタノールアミドN-(2-ヒドロキシエチル)ステアロアミドN-ステアロイルエタノールアミンN-(2-ヒドロキシエチル)オクタデカンアミドＮ（２ヒドロキシエチル）オクタデカンアミドステアラミドＭＥＡN-（2-ヒドロキシエチル）ステアルアミドSEACERAMIDN-StearoylethanolamideAM-1105Stearyl monoethanolamide

N-(2-Hydroxyethyl)stearamideStearoylethanolamideStearamide MEAStearic monoethanolamideStearic acid monoethanolamideStearamylStearoyl-ethanolamineCycloamide SM

データベース識別子

CAS: 111-57-9
PubChem CID: 27902
DTXSID: DTXSID9042178
ChEMBL: CHEMBL171447
ChEBI: CHEBI:85299
UNII: 03XV449Q24
EC Number: 203-883-2
Nikkaji: J115.317J

物性

構造計算による物性

XLogP: 7.3
極性表面積: 49.3 Å²
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: 18
重原子数: 23
形式電荷: 0
複雑度: 244

実験および物理化学的性質

Melting Point98.5 °C

Physical Description · 2 件

Large Crystals; Other Solid; Dry Powder

Solid

Kovats Retention Index2347.1

Collision Cross Section198.93 Å² [M+H]+ [CCS Type: TIMS; Method: single field calibrated]

物理化学的性質

融点: 103 · 103-104 °C(Solv: ethanol (64-17-5))
沸点: 486 · 486.0±28.0 °C(Predicted)
比重(密度): 0.904 · 0.904±0.06 g/cm3(Predicted)
蒸気圧: 0 Pa · 0Pa at 20℃
貯蔵温度: 20 °C · −20°C
溶解性: 2 mg/ml; · DMF: >2 mg/ml; DMSO: >100 μg/ml; Ethanol: >2 mg/ml; PBS pH 7.2: >100 μg/ml
外見: 結晶性
酸解離定数(Pka): 14.49 · 14.49±0.10(Predicted)
色: White to light yellow
水溶解度: 1 mg/L · 1mg/L at 20℃
化粧品成分の機能: 粘度制御界面活性剤 - 泡立ち促進剤帯電防止
InChI: InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h22H,2-19H2,1H3,(H,21,23)
InChIKey: OTGQIQQTPXJQRG-UHFFFAOYSA-N
SMILES: C(NCCO)(=O)CCCCCCCCCCCCCCCCC
LogP: 4.46 at · 4.46 at 20℃
EPAの化学物質情報: N-(2-Hydroxyethyl)octadecanamide (111-57-9)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 4.3% (12 of 281) of reports.

Danger

H315 (88.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (95.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H411 (37.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]；H412 (50.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P264+P265, P273, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 281 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 12 of 281 reports by companies.；There are 5 notifications provided by 269 of 281 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 4 件

Chemical: Octadecanamide, N-(2-hydroxyethyl)-

Octadecanamide, N-(2-hydroxyethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecanamide, 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: 17-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14395；Status: Active Update: 07-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/32501

Octadecanamide, N-(2-hydroxyethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (88.3%)；Eye Dam. 1 (95.7%)；Aquatic Chronic 2 (37.4%)；Aquatic Chronic 3 (50.2%)

毒性情報

Toxicity Summary · 2 件

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...Stearamide MEA

Safe for use in cosmetics, with qualifications

法規制情報

Regulatory Information · 4 件

Chemical: Octadecanamide, N-(2-hydroxyethyl)-

Octadecanamide, N-(2-hydroxyethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecanamide, 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: 17-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14395；Status: Active Update: 07-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/32501

Octadecanamide, N-(2-hydroxyethyl)-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 2
tsca: TSCA listed
safety_code: 22-24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Cellular LocationsExtracellular；Membrane

用途と製造

UsesCIR ingredient: Stearamide MEA

U.S. Production2023: 1,000,000 - <5,000,000 lb；2022: 5,000,000 - <10,000,000 lb；2021: 1,000,000 - <5,000,000 lb；2020: 1,000,000 - <5,000,000 lb

Consumer UsesSurfactant (surface active agent)

Industry UsesStabilizing agent；Flow promoter；Emulsifier；Not Known or Reasonably Ascertainable；Surface modifier；Processing aids not otherwise specified；Surfactant (surface active agent)；Opacifer

Household ProductsInformation on 2 consumer products that contain Stearamide MEA in the following categories is provided:；• Inside the Home

Use ClassificationCosmetics -> Antistatic; Viscosity controlling; Foam boosting

応用分野 · 1 件

使用Stearoyl Ethanolamide is a prolific fatty acid ethanolamide produced by PLD hydrolysis of membrane phospholipids. Stearoyl Ethanolamide is also used for studying the effect on endocannabinoid signalling and BBB integrity in systemic inflammation.

調製方法 · 1 件

製造方法In the stirred state, fatty acids (1.0 mmol, 1.0 equiv) were added to CH2Cl2 (5 mL), followed by CDI (0.178 g, 1.1 mmol, 1.1 equiv). After 30 min, the amine (1.1 mmol, 1.1equiv.)was added. Added CH2Cl2 (25ml) and saturated NH4Cl aqueous solution after 12 h. HCl was added to the mixture to adjusted pH=2. After the organic phase was separated, the aqueous layer was further extracted with CH2Cl2 (3 × 10 mL). The organic phase was collected and placed on Na2SO4 to dried, and filtered. Finally, the product (STEAROYL ETHANOLAMIDE) was obtained by vacuum concentration.

上流・下流製品情報

上流原料

ステアリン酸ビニルステアリン酸N-スクシンイミジルオクタデカン酸2-[(1-オキソオクタデシル)アミノ]エチルステアリン酸メチルステアリン酸エチルステアロイルクロリド 2-アミノエタノール

下流製品

ステアリン酸2-アミノエチル N-ラウロイルグリシン

サプライヤー100 社

北京华美互利生物化工010-56205725 · [email protected]

江西益众化工有限公司15307925109 15350027073 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

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

湖北万得化工有限公司15377098680 15377098680 · [email protected]

補足説明

定義本品は、ステアリン酸(*)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：ステアリン酸

定義ChEBI: An N-(long-chain-acyl)ethanolamine that is the ethanolamide of octadecanoic acid.

化合物ノート

読み込み中…

N-(2-ヒドロキシエチル)ステアロアミド

基本情報