1,3,4,6-テトラキス(ヒドロキシメチル)-3,3a,6,6a-テトラヒドロイミダゾ[4,5-d]イミダゾール-2,5(1H,4H)-ジオン

1,3,4,6-テトラキス(ヒドロキシメチル)-3a,4,6,6a-テトラヒドロイミダゾ[4,5-d]イミダゾール-2,5(1H,3H)-ジオン · 1,3,4,6-テトラキス(ヒドロキシメチル)-3,3a,6,6a-テトラヒドロイミダゾ[4,5-d]イミダゾール-2,5(1H,4H)-ジオン · 3a,4,6,6a-テトラヒドロ-1,3,4,6-テトラキス(ヒドロキシメチル)イミダゾ[4,5-d]イミダゾール-2,5(1H,3H)-ジオン · 3,3a,6,6a-テトラヒドロ-1,3,4,6-テトラキス(ヒドロキシメチル)イミダゾ[4,5-d]イミダゾール-2,5(1H,4H)-ジオン · 1,3,4,6-テトラキス(ヒドロキシメチル)オクタヒドロイミダゾ[4,5-d]イミダゾール-2,5-ジオン · テトラメチロールアセチレン二尿素 · Tetramethylol acetyl · Tetrahydroxy glycoluril

https://huagongshe.com/ja/chemical/79372

1,3,4,6-テトラキス(ヒドロキシメチル)-3,3a,6,6a-テトラヒドロイミダゾ[4,5-d]イミダゾール-2,5(1H,4H)-ジオンの分子構造式

識別子と物理属性

CAS No.	5395-50-6
分子式	C8H14N4O6
平均分子量	262.22 g/mol
単同位体質量	262.09133417 g/mol
SMILES	O=C1N(CO)C2C(N1CO)N(CO)C(=O)N2CO
InChIKey	UUGLSEIATNSHRI-UHFFFAOYSA-N
PubChem CID	79372
EC No.	226-408-0
DTXSID	DTXSID8063830
現地名	1,3,4,6-テトラキス(ヒドロキシメチル)-3,3a,6,6a-テトラヒドロイミダゾ[4,5-d]イミダゾール-2,5(1H,4H)-ジオン

化学・物理的性質

XLogP	-2.1
極性表面積	128
水素結合供与体数	4
水素結合受容体数	6
回転可能結合数	4
重原子数	18
形式電荷	0
複雑度	303
融点	137-138 °C
沸点	624.2±55.0 °C(Predicted)
密度	1.697±0.06 g/cm3(Predicted)
貯蔵条件	Sealed in dry,Room Temperature
溶解度	クロロホルム (マイルド、超音波処理)、DMSO (マイルド)、メタノール (マイルド、超音波処理)
外観・状態	個体
pKa（酸解離定数）	13.90±0.10(Predicted)
色	ホワイトからオフホワイト
化粧品成分の機能	抗菌剤
InChI	InChI=1S/C8H14N4O6/c13-1-9-5-6(11(3-15)7(9)17)12(4-16)8(18)10(5)2-14/h5-6,13-16H,1-4H2
InChIKey	UUGLSEIATNSHRI-UHFFFAOYSA-N
SMILES	C(N1C(N(C2N(C(N(C21)CO)=O)CO)CO)=O)O
EPAの化学物質情報	Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1,3,4,6-tetrakis(hydroxymethyl)- (5395-50-6)

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 2.4% (7 of 294) of reports.WarningH317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 294 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
規制情報	Chemical: Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1,3,4,6-tetrakis(hydroxymethyl)-Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1,3,4,6-tetrakis(hydroxymethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1,3,4,6-tetrakis(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)Status: Active Update: 21-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23050Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1,3,4,6-tetrakis(hydroxymethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
その他の安全情報	Evaluation - Hydroxymethylated imidazolidinones
Hazard Classes and Categories	Skin Sens. 1 (97.6%)Skin sensitisation - category 1
TSCA 収載状態	TSCA listed

用途

使用

Tetramethylol Acetylenediurea is a useful additive for forming etching patterns in semiconductor manufacturing.