基本情報
- CAS
7377-03-9- 標準SMILES
CCCCCCCC(=O)NO- InChIKey
RGUVUPQQFXCJFC-UHFFFAOYSA-N- 分子式
- C8H17NO2
- 平均分子量
- 159.23 g/mol
- 単同位体質量
- 159.12592879
概要
used as ruminal urease inhibitor; structure; RN given refers to unlabeled parent cpd
名称と識別子
- 優先名称
- Octanohydroxamic acid
- IUPAC
- N-hydroxyoctanamide
- 現地名
- オクタノヒドロキサム酸
- 英語名
- Octanohydroxamic Acid
- 分子式
- C8H17NO2
- 分子量
- 159.23
名称と別名
OCTANOHYDROXAMIC ACIDN-Hydroxyoctanamide7377-03-9Caprylohydroxamic acidOctanamide, N-hydroxy-Caprylhydroxamic acidOctanoylhydroxamic acidUPY805K99WDTXSID8074609RefChem:167792DTXCID5047582230-936-7
名称をさらに表示
オクタノヒドロキサム酸タセリンオクタンヒドロキサム酸N-ヒドロキシオクタンアミドカプリロヒドロキサム酸オクタノヒドロキシム酸カプリロヒドロオキサム酸オクタンヒドロキシム酸カプリルヒドロキサム酸CAPRYLHYDROXAMIChydroximic acidn-hydroxy-octanamidHOHA
Taselinoctanehydroxamic acidMFCD00143918OctanohydroxamsaeureOctanohydroximic acidCaprylohydroxamicacidEINECS 230-936-7BRN 1703666
データベース識別子
- CAS
7377-03-9- PubChem CID
- 23846
- DTXSID
DTXSID8074609- UNII
- UPY805K99W
- EC Number
- 230-936-7
- Nikkaji
- J10.697F
物性
構造計算による物性
- XLogP
- 1.3
- 極性表面積
- 49.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 6
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 104
実験および物理化学的性質
CosmeticsCosmetic ingredients (Caprylhydroxamic Acid) -> CIR (Cosmetic Ingredient Review)
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
物理化学的性質
- 融点
- 78 °C · 78°C
- 比重(密度)
- 0.97 · 0.970
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
- 溶解性
- クロロホルム（微量）、DMSO（微量）、メタノール（微量）
- 外見
- 個体
- 酸解離定数(Pka)
- 9.56 · 9.56±0.20(Predicted)
- 色
- ホワイトからオフホワイト
- 化粧品成分の機能
- キレート化
- InChI
- InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-8(10)9-11/h11H,2-7H2,1H3,(H,9,10)
- InChIKey
- RGUVUPQQFXCJFC-UHFFFAOYSA-N
- SMILES
- C(NO)(=O)CCCCCCC
- EPAの化学物質情報
- Octanamide, N-hydroxy- (7377-03-9)
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 96% (143 of 149) of all reports.
Not Classified
Aggregated GHS information provided per 149 reports by companies from 4 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Octanamide, N-hydroxy-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: N-hydroxyoctanamide (EC: 230-936-7)
Caprylhydroxamic acid: 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 - Octanamide, N-Hydroxy-
Hazard Classes and CategoriesNot Classified
毒性情報
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
安全データ
- wgk
- WGK 3
- tsca
- TSCA listed
- rtecs
- RG9900500
- hs_code
- 2928.00.5000
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
UsesCIR ingredient: Caprylhydroxamic Acid
Household ProductsInformation on 15 consumer products that contain Caprylhydroxamic Acid in the following categories is provided:
General Manufacturing InformationOctanamide, N-hydroxy-: ACTIVE
応用分野
説明Octanohydroxamic acid (OHA), the more common hydroxamate collector, has both an acid group (single bondNHOH) and basic group (single bond CO). The hydrogen in the acid group can be replaced by a metal ion and a dative bond from the basic group to form a chelate. Improved monazite flotation performance was reported when using OHA compared to the results obtained with sodium oleate. Flotation separation of monazite and calcite using OHA has been described in previous publications. OHA was the most potent urease inhibitor among saturated hydroxamic acid (HAs) with a calculated IC50 of 0.25±0.1mM compared to 8.67±1.3 and 0.50±0.2mM for Acetohydroxamic acid and heptanohydroxamic acid, respectively. Further increase in the chain length from 8 to 12 carbons negatively affected the potency of HAs[1].
使用Octanohydroxamic Acid is used in preparation of Caprylohydroxamic Acid.
上流・下流製品情報
上流原料
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