基本情報
- CAS
116-25-6- 標準SMILES
CC1(C)C(=O)NC(=O)N1CO- InChIKey
SIQZJFKTROUNPI-UHFFFAOYSA-N- 分子式
- C6H10N2O3
- 平均分子量
- 158.16 g/mol
- 単同位体質量
- 158.06914219
概要
1-(hydroxymethyl)-5,5-dimethylhydantoin is an imidazolidine-2,4-dione substituted by a hydroxymethyl group at position 1 and two methyl groups at position 5. It is approved by the FDA for use as an adjuvant in the bleaching of recycled paper and board used in food packaging, and is also a decomposition product of DMDM hydantoin, a preservative and antimicrobial agent used in cosmetics and personal care products. It has a role as an antimicrobial agent. It is an imidazolidine-2,4-dione and a hemiaminal.
名称と識別子
- 優先名称
- 1-Monomethylol-5,5-dimethylhydantoin
- IUPAC
- 1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione
- 現地名
- 1-(ヒドロキシメチル)-5,5-ジメチルヒダントイン
- 英語名
- 1-Methylol-5,5-dimethylhydantoin
- 分子式
- C6H10N2O3
- 分子量
- 158.16
名称と別名
1-Monomethylol-5,5-dimethylhydantoinRefChem:74700116-25-61-(Hydroxymethyl)-5,5-dimethylhydantoin1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dioneMDM Hydantoin1-Hydroxymethyl-5,5-dimethylhydantoinMDMHGlycoServeMonomethyloldimethylhydantoinDantoin MDMH27636-82-4
名称をさらに表示
1-(ヒドロキシメチル)-5,5-ジメチルヒダントイン1-(ヒドロキシメチル)-5,5-ジメチルイミダゾリジン-2,4-ジオンメチルジメチルヒダントイン1-メチロール-5,5-ジメチルヒダントイン1-ヒドロキシメチル-5,5-ジメチルヒダントインモノメチロールジメチルヒダントイン1-(ヒドロキシメチル)-5,5-ジメチル-2,4-イミダゾリジンジオン1-メチロ-ル-5,5-ジメチルヒダントイン1-モノメチロール-5，5-ジメチルヒダントイン1-ヒドロキシメチル-5,5-ジメチルヒダントイン, 97%Methyldimethylhydantoin1-hydroxymethyl-5,5-dimethylMONO-METHYLOLDIMETHYLHYDANTOIN5,5-dimethyl-1-methylol-hydantoin1,1-METHYLOL-5,5-DIMETHYLHYDANTOIN
methylol dimethylhydantoinMDM Hydantoin (VAN)1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione1-Methylol-5,5-dimethylhydantoinHydroxymethyl-5,5-dimethylhydantoin2,4-Imidazolidinedione, 1-(hydroxymethyl)-5,5-dimethyl-Monomethylol dimethyl hydantoin5,5-Dimethyl-1-hydroxymethylhydantoin
物性
構造計算による物性
- XLogP
- -0.3
- 極性表面積
- 69.6 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 1
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 212
実験および物理化学的性質
CosmeticsAntimicrobial
SolubilityFreely soluble
Melting Point110 - 117 °C
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionSolid
物理化学的性質
- 融点
- 104 · 104-106°C
- 比重(密度)
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- 貯蔵温度
- Hygroscopic, Refrigerator, under inert atmosphere
- 溶解性
- DMSO（加熱）、メタノール（微量）
- 外見
- 個体
- 酸解離定数(Pka)
- 8.28 · 8.28±0.10(Predicted)
- 色
- ホワイトからオフホワイト
- 水溶解度
- 水に溶けやすい。
- Merck
- 14 · 14,4831
- BRN
- 139160 · 139160
- 化粧品成分の機能
- 抗菌剤
- LogP
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 53.8% (77 of 143) of all reports.
Warning
H302 (42.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 143 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 100% (38 of 38) of all reports.
危険有害性情報
Regulatory Information
Chemical: 2,4-Imidazolidinedione, 1-(hydroxymethyl)-5,5-dimethyl-
2,4-Imidazolidinedione, 1-(hydroxymethyl)-5,5-dimethyl-: 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.
2,4-Imidazolidinedione, (hydroxymethyl)-5,5-dimethyl-: 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.
Other Safety InformationEvaluation - Hydroxymethylated imidazolidinones
Hazard Classes and Categories
Acute Tox. 4 (42.7%)
Not Classified
安全データ
- tsca
- TSCA listed
- rtecs
- NI9454200
- hs_code
- 2933210090
- 化審法
- (5)-3543
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
Household ProductsInformation on 6 consumer products that contain 2,4-Imidazolidinedione, (hydroxymethyl)-5,5-dimethyl- in the following categories is provided:
Use ClassificationCosmetics -> Antimicrobial
General Manufacturing Information2,4-Imidazolidinedione, 1-(hydroxymethyl)-5,5-dimethyl-: ACTIVE
応用分野
用途有機合成原料。
使用1-Hydroxymethyl-5,5-dimethylhydantoin is used as chelator for light-sensitive pharmaceutical drug, and as raw material of water-soluble polymers. It also can be used as a soluble inhibitor for proteins. It is used as an adjuvant in the bleaching of food-contact recycled paper and board used in food packaging.
サプライヤー4 社
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
関連反応
5 件
化合物ノート
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