基本情報
- CAS
101969-72-6- 標準SMILES
CCCCCCCC(=O)O.OCCN(CCO)CCO- InChIKey
FMBWBTOMBLRYPD-UHFFFAOYSA-N- 分子式
- C8H16O2.C6H15NO3
- 平均分子量
- 293.4 g/mol
- 単同位体質量
- 293.22022309
名称と識別子
- 優先名称
- Trolamine caprylate
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]ethanol;octanoic acid
名称と別名
Trolamine caprylate22919-56-8Caprylic acid triethanolamine saltOctanoic acid, triethanolamine salt44WCC06CKUCaprylic acid, triethanolamine saltTriethanolamine, caprylic acid saltEINECS 245-327-1TRIETHANOLAMINE OCTANOATE101969-72-6TRIETHANOLAMINE OCTANOIC ACID SALTOctanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
名称をさらに表示
ETHANOL, 2,2',2''-NITRILOTRI-, OCTANOATE (SALT)RefChem:900657600-259-5Octanoic acid triethanolamine salttriethanolamine caprylate2-[bis(2-hydroxyethyl)amino]ethanol;octanoic acidoctanoic acid- 2,2',2''-nitrilotriethanol(1:1)UNII-44WCC06CKU
データベース識別子
- CAS
101969-72-6、22919-56-8- PubChem CID
- 161405
- DTXSID
DTXSID8066842- UNII
- 44WCC06CKU
- EC Number
- 245-327-1、600-259-5
物性
構造計算による物性
- 極性表面積
- 101 Ų
- 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
- 12
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 145
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
Danger
H314 (59.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 188 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Octanoic acid, compound with 2,2',2''-nitrilotris[ethanol] (1:1)
REACH registered substance: Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) (EC: 245-327-1)
Octanoic acid, compd. with 2,2',2''-nitrilotris[ethanol] (1:1): 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.
Hazard Classes and CategoriesSkin Corr. 1B (59.6%)
化学と産業
用途と製造
General Manufacturing InformationOctanoic acid, compd. with 2,2',2''-nitrilotris[ethanol] (1:1): ACTIVE
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