올레오일사르코신

Oleoyl Sarcosine

HCID 6912870
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기본 정보

CAS
110-25-8
표준 SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)N(C)CC(=O)O
InChIKey
DIOYAVUHUXAUPX-KHPPLWFESA-N
분자식
C21H39NO3
평균 분자량
353.5 g/mol
단동위원소 질량
353.29299411

개요

Oleoyl sarcosine is a N-acyl-amino acid.

이름 및 식별자

우선 이름
Oleoyl Sarcosine
IUPAC
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid
현지명
올레오일사르코신
영어명
N-OLEOYLSARCOSINE
분자식
C21H39NO3
분자량
353.54

이름 및 동의어

Oleoyl sarcosineOleyl sarcosineN-Oleoylsarcosine110-25-8OleoylsarcosineN-Methyl-N-oleoylglycineOleic sarcosineSarkosyl OHamposyl OMaprosyl OOleyl N-methylglycineSarcosine, N-oleoyl-
이름 더 보기
올레오일사르코신올레오일사코신N-OLEYL SARCOSINEN-Methyloleamidoacetic acid(Z)-N-methyl-N-(1-oxo-9-octadecenyl)glycineOleic acid sarcosineN-Oleoyl sarcosine acidN-CIS-9-OCTADECANOYLSARCOSINE2-(N-MethyloleaMido)acetic acid
Oleoyl N-methylaminoacetic acidMedialanic acid (VAN)DTXSID5042243EINECS 203-749-3Oleyl methylaminoethanoic acidUNII-4011K1S96YCRODASINIC OORAMIX O

데이터베이스 식별자

CAS
110-25-8、16693-85-9
PubChem CID
6912870
DTXSID
DTXSID5042243
ChEMBL
CHEMBL3183932
ChEBI
CHEBI:177784
UNII
4011K1S96Y
EC Number
203-749-3
Nikkaji
J193.580A

물성

구조 계산 물성

XLogP
6.8
극성 표면적
57.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
17
무거운 원자 수
25

실험 및 물리화학적 성질

Cosmetics · 2건

Cosmetic ingredients (Oleoyl Sarcosine) -> CIR (Cosmetic Ingredient Review)

Hair conditioning; Cleansing; Surfactant; Antistatic

Food Contact Substances · 2건

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionLiquid
Collision Cross Section200.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID5042243]

물리화학적 성질

녹는점
16.1 · 16.1-17.0℃
끓는 점
499.4 · 499.4±38.0 °C(Predicted)
밀도
0.961 · 0.961
인화점
221 °C · 221°C
저장 조건
Store at room temperature
산도 계수 (pKa)
3.62 · 3.62±0.10(Predicted)

화학적 성질

light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 0.7% (8 of 1088) of reports.

Danger

H315 (95%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, 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 1088 reports by companies from 25 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

유해성 정보

Regulatory Information · 3건

Chemical: Glycine, N-methyl-N-(1-oxo-9-octadecenyl)-, (Z)-

Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecen-1-yl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecen-1-yl]- 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)

N-Methyl-N-oleoylglycine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2건

Skin Irrit. 2 (95%)

Acute toxicity (Inhalation: Dusts and mists) - Category 4

독성 정보

Toxicity Summary · 2건

The CIR Expert Panel concluded that the following ingredients are safe as used in cosmetics when formulated to be non-irritating. The Expert Panel cautions that these ingredients should not be used in cosmetic products in which N-nitroso compounds can be found...Oleoyl Sarcosine...

Safe for use in cosmetics, with qualifications

안전 데이터

tsca
TSCA listed
risk_code
36/37/38
safety_code
26-36/37/39
기존화학 물질
KE-24668

화학 및 산업

용도 및 제조

UsesCIR ingredient: Oleoyl Sarcosine
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesCorrosion inhibitor
Industry UsesLubricating agent
Household ProductsInformation on 1 consumer products that contain Oleoyl Sarcosine in the following categories is provided:
Use ClassificationCosmetics -> Hair conditioning; Cleansing; Surfactant; Antistatic

응용 분야

개요N-oleoylsarcosine is a molecule renowned for its excellent friction-reducing properties. It is used as a rust inhibitor and preservative, and it is believed that its amino acid groups form chelate structures with metal surfaces[1].

용도2-(N-Methyloleamido)acetic acid (cas# 110-25-8) is used as an anti-tarnishing sunscreen additive for lubricating oil and grease.

상·하류 제품 정보

공급사104 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [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]

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