基本情報
- CAS
78491-02-8- 標準SMILES
O=C1C(N(CO)C(=O)NCO)N(CO)C(=O)N1CO- InChIKey
SOROIESOUPGGFO-UHFFFAOYSA-N- 分子式
- C8H14N4O7
- 平均分子量
- 278.22 g/mol
- 単同位体質量
- 278.0862488
概要
Diazolidinylurea is an imidazolidine-2,4-dione.
名称と識別子
- 優先名称
- Diazolidinylurea
- IUPAC
- 1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea
- 現地名
- N-[1,3-ビス(ヒドロキシメチル)-2,5-ジオキソイミダゾリジン-4-イル]-N,N'-ビス(ヒドロキシメチル)尿素
- 英語名
- Diazolidinyl Urea
- 分子式
- C8H14N4O7
- 分子量
- 278.22
名称と別名
DIAZOLIDINYL UREA78491-02-8DiazolidinylureaGermall 11Imidazolidinyl urea 11N,N'-Bis(hydroxymethyl) ureaDTXSID0029559N9VX1IBW6KGERMABEN II-EH5RIZ3MPW4DTXCID0095595-(1,3-bis(hydroxymethyl)ureido)-1,3-bis(hydroxymethyl)imidazol-2,5(3H,5H)dione
名称をさらに表示
ジアゾリジニル尿素ジェルマール11N-[1,3-ビス(ヒドロキシメチル)-2,5-ジオキソイミダゾリジン-4-イル]-N,N'-ビス(ヒドロキシメチル)尿素1,3-ビス(ヒドロキシメチル)-1-[1,3-ビス(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N-[1,3-ビス(ヒドロキシメチル)-2,5-ジオキソ-4-イミダゾリジニル]-N,N'-ビス(ヒドロキシメチル)尿素N,N'-ビス(ヒドロキシメチル)-N-[1,3-ビス(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1,3-ビス(ヒドロキシメチル)-5-[1,3-ビス(ヒドロキシメチル)ウレイド]ヒダントイン1-［1，3-ビス（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-ビス（ヒドロキシメチル）尿素DIAZOLIDINYL UREA (100 ΜG/ML IN MEOH)N-[1,3-ビス(ヒドロキシメチル)-2,5-ジオキソイミダゾリジン-4-イル]-N,N′-ビス(ヒドロキシメチル)尿素N,N′-ビス(ヒドロキシメチル)-N-[1,3-ビス(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N-[1,3-ビス(ヒドロキシメチル)-2,5-ジオキソ-4-イミダゾリジニル]-N,N′-ビス(ヒドロキシメチル)尿素
物性
構造計算による物性
- XLogP
- -2.5
- 極性表面積
- 154 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 7
- 回転可能結合数
- 5
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 376
実験および物理化学的性質
Chemical ClassesOther Uses -> Preservatives
Cosmetics
Cosmetic ingredients (Diazolidinyl Urea) -> CIR (Cosmetic Ingredient Review)
Preservative
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLiquid
Collision Cross Section162.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID0029559]
物理化学的性質
- 沸点
- 421.04 °C · 421.04°C (rough estimate)
- 比重(密度)
- 1.4734 · 1.4734 (rough estimate)
- 蒸気圧
- 0 Pa · 0Pa at 20℃
- 屈折率
- 1.659 · 1.6590 (estimate)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 水（少々）
- 外見
- 個体
- 酸解離定数(Pka)
- 11.22 · 11.22±0.46(Predicted)
- 色
- ホワイトからオフホワイト
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 1% (11 of 1123) of reports.
Warning
H317 (48.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1123 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
危険有害性情報
Regulatory Information
Chemical: Urea, N-[1,3-bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)-
Urea, N-[1,3-bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Urea, N-[1,3-bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-N,N'-bis(hydroxymethyl)- 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)
REACH registered substance: 1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea (EC: 278-928-2)
Diazolidinyl 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 SummaryA 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]
Hazard Classes and Categories
Skin Sens. 1 (48.5%)
Eye irritation - category 2A
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. (L962)
FDA Pharmacological Classification
H5RIZ3MPW4
DIAZOLIDINYL UREA
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: Diazolidinyl Urea
Used as a formaldehyde-releasing preservative in cosmetics and barrier creams; [Kanerva, p. 1779]
Using Disinfectants or Biocides [Category: Clean]
Diazolidinyl urea is an antimicrobial preservative used in many cosmetics, skin care products, shampoos and conditioners, as well as a wide range of products including bubble baths, baby wipes and household detergents. Diazolidinyl urea is found in the commercially available preservative Germaben. (L1895)
U.S. Production2023: 250,000 - <550,000 lb
Household ProductsInformation on 122 consumer products that contain Diazolidinylurea in the following categories is provided:
Use Classification
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…