N-Stearoylethanolamine (HCID 27902)

이름 및 식별자

우선 이름: N-Stearoylethanolamine
IUPAC: N-(2-hydroxyethyl)octadecanamide
현지명: N-(2-히드록시에틸)옥타데칸아미드
영어명: Stearoyl ethanolamide
분자식: C20H41NO2
분자량: 327.55

이름 및 동의어

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

이름 더 보기

N-(2-하이드록시에틸)옥타데칸아마이드N-(2-히드록시에틸)옥타데칸아미드스테아라마이드엠이에이스테로일에탄올아미드SEACERAMIDN-StearoylethanolamideAM-1105Stearyl monoethanolamide

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 7.3
극성 표면적: 49.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 18
무거운 원자 수: 23
형식 전하: 0
복잡도: 244

실험 및 물리화학적 성질

Melting Point98.5 °C

Physical Description · 2건

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]

물리화학적 성질

녹는점: 103 · 103-104 °C(Solv: ethanol (64-17-5))
끓는 점: 486 · 486.0±28.0 °C(Predicted)
밀도: 0.904 · 0.904±0.06 g/cm3(Predicted)
증기압: 0 Pa · 0Pa at 20℃
저장 조건: 20 °C · −20°C
용해도: 2 mg/ml; · DMF: >2 mg/ml; DMSO: >100 μg/ml; Ethanol: >2 mg/ml; PBS pH 7.2: >100 μg/ml
물리적 상태: 수정 같은
산도 계수 (pKa): 14.49 · 14.49±0.10(Predicted)
색상: White to light yellow
수용성: 1 mg/L · 1mg/L at 20℃
화장품 원료 기능: 점도 조절계면활성제 - 거품 증진제대전방지제
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: N-(2-Hydroxyethyl)octadecanamide (111-57-9)

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

유해성 정보

Regulatory Information · 4건

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%)

독성 정보

Toxicity Summary · 2건

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

규제 정보

Regulatory Information · 4건

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

안전 데이터

wgk: 2
tsca: TSCA listed
safety_code: 22-24/25
기존화학 물질: KE-20536
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsExtracellular；Membrane

용도 및 제조

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

응용 분야 · 1건

용도Stearoyl 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.

제조 방법 · 1건

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.

상·하류 제품 정보

상류 원료

하류 제품

2-아미노에틸스테아레이트 N-도데카노일글리신

공급사50 곳

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]

추가 설명

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

연결된 노트

불러오는 중…

N-(2-히드록시에틸)옥타데칸아미드

기본 정보