기본 정보
- CAS
39236-46-9- 표준 SMILES
O=C(NCNC(=O)NC1C(=O)NC(=O)N1CO)NC1C(=O)NC(=O)N1CO- InChIKey
ZCTXEAQXZGPWFG-UHFFFAOYSA-N- 분자식
- C11H16N8O8
- 평균 분자량
- 388.29 g/mol
- 단동위원소 질량
- 388.1091095
개요
Imidurea is a member of ureas. It has a role as an antimicrobial agent.
이름 및 식별자
- 우선 이름
- Imidazolidinyl Urea
- IUPAC
- 1-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-3-[[[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]carbamoylamino]methyl]urea
- 현지명
- 이미다졸리다이닐우레아
- 영어명
- Imidazolidinyl urea
- 분자식
- C11H16N8O8
- 분자량
- 388.29
이름 및 동의어
Imidazolidinyl urea39236-46-9IMIDUREAGermall 115DTXSID2040151Methanebis(N,N'-(5-ureido-2,4-diketotetrahydroimidazole)-N,N-dimethylol)M629807ATLN,N''-Methylenebis(N'-(1-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)urea)N,N''-methylenebis(N'-(3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)urea)Urea, N,N''-methylenebis(N'-(3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl)-DTXCID0020151CHEBI:51805
이름 더 보기
이미다졸리다이닐우레아이미다졸리디닐우레아ImidazolidinylSept 115germall115Tristat 1UEuxyl K 200Biopure 100Imidurea NFUnicide U-13
N',N'''-methanediylbis{1-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea}imidazolidinylureaN',N'''-methanediylbis(1-(3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl)urea)RefChem:148001254-372-63-(4-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl)-1-((((4-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl)carbamoyl)amino)methyl)urea1,1'-Methylenebis(3-(3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl)urea)MFCD00221482
물성
구조 계산 물성
- XLogP
- -3.4
- 극성 표면적
- 222 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 627
실험 및 물리화학적 성질
Chemical ClassesOther Uses -> Biocides/Disinfectants
Cosmetics
Cosmetic ingredients (Imidazolidinyl Urea) -> CIR (Cosmetic Ingredient Review)
Preservative
Physical DescriptionExists as the monohydrate: White odorless solid; [Merck Index]
Collision Cross Section183.4 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2040151]
물리화학적 성질
- 녹는점
- 141 · 141-143℃
- 끓는 점
- 514.04 °C · 514.04°C (rough estimate)
- 밀도
- 1.4245 · 1.4245 (rough estimate)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.691 · 1.6910 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- Soluble in water and in glycerol, but insoluble in almost all organic solvents.
- 산도 계수 (pKa)
- 7.41 · 7.41±0.10(Predicted)
- 물리적 상태
- 액체
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 14.4% (88 of 613) of reports.
Warning
H317 (77.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 613 reports by companies from 8 notifications to the ECHA C&L Inventory.
Warning
유해성 정보
Regulatory Information
Chemical: Urea, N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-
REACH registered substance: N,N''-methylenebis[N'-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]urea] (EC: 254-372-6)
Imidazolidinyl urea: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Formaldehyde donors: Human health tier II assessment
Hazards Summary
A formaldehyde releaser used in cosmetics; It can cause allergic contact dermatitis; Rinse off products in general will have a low risk of causing allergic contact dermatitis. [Kanerva, p. 398-404] Reports of contact dermatitis from its use in cosmetics; No contact sensitivity observed in several studies; [NTP] A irritant; [Aldrich MSDS]
Hazard Classes and Categories
Skin Sens. 1B (77.7%)
Eye irritation - category 2A
독성 정보
Health EffectsImidazolidinyl urea releases formaldehyde, a known human carcinogen. It may also react to produce nitrosamines, which are believed to be carcinogenic. (L962, L1890, L1894)
화학 및 산업
약리 정보
Metabolism/Metabolites
Formaldehyde may be absorbed following inhalation, oral, or dermal exposure. It is an essential metabolic intermediate in all cells and is produced during the normal metabolism of serine, glycine, methionine, and choline and also by the demethylation of N-, S-, and O-methyl compounds. Exogenous formaldehyde is metabolized to formate by the enzyme formaldehyde dehydrogenase at the initial site of contact. After oxidation of formaldehyde to formate, the carbon atom is further oxidized to carbon dioxide or incorporated into purines, thymidine, and amino acids via tetrahydrofolatedependent one-carbon biosynthetic pathways. Formaldehyde is not stored in the body and is excreted in the urine (primarily as formic acid), incorporated into other cellular molecules, or exhaled as carbon dioxide. Nitrosamines can also enter the body via ingestion, inhalation, or dermal contact. Once in the body, nitrosamines are metabolized by cytochrome P-450 enzymes, which essentially activates them into carcinogens. (L962, A2878, A2879)
FDA Pharmacological Classification
M629807ATL
IMIDUREA
Established Pharmacologic Class [EPC] - Standardized Chemical Allergen
Physiologic Effects [PE] - Increased Histamine Release
Physiologic Effects [PE] - Cell-mediated Immunity
Chemical Structure [CS] - Allergens
용도 및 제조
Uses
CIR ingredient: Imidazolidinyl Urea
Used as a biocide in cosmetics with 0.6% the maximum allowable concentration in the EU; [Kanerva, p. 398, 407] Used as an antimicrobial preservative in cosmetics and topical pharmaceuticals; [Merck Index] One of the most widely used preservative systems (especially in combination with parabens) in the world and often found in cosmetics; [NTP]
Using Disinfectants or Biocides [Category: Clean]
Imidazolidinyl urea is an antimicrobial preservative used in cosmetics. (L1894)
Household ProductsInformation on 54 consumer products that contain Imidazolidinyl urea in the following categories is provided:
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