Hexanoic acid, 2-ethyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
基本情報
- CAS
38584-87-1- 標準SMILES
CCCCC(CC)C(=O)O.OCCN(CCO)CCO- InChIKey
WOIZEJSXFHDUNX-UHFFFAOYSA-N- 分子式
- C14H31NO5
- 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
- Hexanoic acid, 2-ethyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]ethanol;2-ethylhexanoic acid
名称と別名
Triethanolamine 2-ethylhexoateEINECS 254-020-12-Ethylhexanoic acid compound with triethanolamine (1:1)38584-87-1DTXSID50885728RefChem:146184DTXCID801025091SCHEMBL3371368WOIZEJSXFHDUNX-UHFFFAOYSA-N2-Ethylhexanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)NS001318902-Ethylhexanoic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
データベース識別子
- CAS
38584-87-1、68130-91-6- PubChem CID
- 162314
- DTXSID
DTXSID50885728- EC Number
- 254-020-1
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
- 11
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 155
実験および物理化学的性質
Physical DescriptionLiquid
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 9.5% (2 of 21) of reports.
Danger
H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P318, P321, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 21 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Hexanoic acid, 2-ethyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanoic acid, 2-ethyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1) 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)
Hexanoic acid, 2-ethyl-, 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 Irrit. 2 (28.6%)
化学と産業
用途と製造
U.S. Production2020: 101,089 lb
General Manufacturing InformationHexanoic acid, 2-ethyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1): ACTIVE
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化合物ノート
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