基本情報
- CAS
39236-46-9- 標準SMILES
O=C(NCNC(=O)NC1C(=O)NC(=O)N1CO)NC1C(=O)NC(=O)N1CO- InChIKey
ZCTXEAQXZGPWFG-UHFFFAOYSA-N- 分子式
- C11H16N8O8
- 平均分子量
- 388.29 g/mol
- 単同位体質量
- 388.1091095
概要
Imidurea is a member of ureas. It has a role as an antimicrobial agent.
名称と識別子
- 優先名称
- Imidazolidinyl Urea
- IUPAC
- 1-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-3-[[[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]carbamoylamino]methyl]urea
- 現地名
- イミド尿素
- 英語名
- Imidazolidinyl urea
- 分子式
- C11H16N8O8
- 分子量
- 388.29
名称と別名
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
名称をさらに表示
バイオピュア100ジェルマール115N,N''-メチレンビス[N'-[3-(ヒドロキシメチル)-2,5-ジオキソ-4-イミダゾリジニル]尿素]イミダゾリジニル尿素N,N''-メチレンビス[N'-(3-ヒドロキシメチル-2,5-ジオキソイミダゾリジン-4-イル)尿素]イミド尿素N,N'-メチレンビス[N'-(3-ヒドロキシメチル-2,5-ジオキソ-4-イミダゾリジニル)尿素]イミダゾリジニルウレアイミダゾリジニル尿素, 100 µg/mL in MeOHN,N′′-メチレンビス[N′-(3-ヒドロキシメチル-2,5-ジオキソイミダゾリジン-4-イル)尿素]3-[3-(ヒドロキシメチル)-2,5-ジオキソイミダゾリジン-4-イル]-1-[({[3-(ヒドロキシメチル)-2,5-ジオキソイミダゾリジン-4-イル]カルバモイル}アミノ)メチル]尿素N,N′′-メチレンビス[N′-[3-(ヒドロキシメチル)-2,5-ジオキソ-4-イミダゾリジニル]尿素]
物性
構造計算による物性
- XLogP
- -3.4
- 極性表面積
- 222 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 8
- 回転可能結合数
- 6
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 627
実験および物理化学的性質
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]
物理化学的性質
- 融点
- 141 · 141-143℃
- 沸点
- 514.04 °C · 514.04°C (rough estimate)
- 比重(密度)
- 1.4245 · 1.4245 (rough estimate)
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 屈折率
- 1.691 · 1.6910 (estimate)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 水とグリセロールに溶けるが、ほとんどの有機溶媒には溶けない。
- 酸解離定数(Pka)
- 7.41 · 7.41±0.10(Predicted)
- 外見
- 液体
- 色
- クリア
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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
危険有害性情報
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
毒性情報
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)
化学と産業
薬理情報
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
用途と製造
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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