基本情報
- 標準SMILES
CCCCCCCCCCCCCCCCCC(=O)O.NCCO- InChIKey
XOSCOJBBKOVIOM-UHFFFAOYSA-N- 分子式
- C18H36O2.C2H7NO
- 平均分子量
- 345.6 g/mol
- 単同位体質量
- 345.32429424
名称と識別子
- 優先名称
- Octadecanoic acid, compd. with 2-aminoethanol (1:1)
- IUPAC
- 2-aminoethanol;octadecanoic acid
名称と別名
2129-99-9monoethanolamine stearateethanolammonium stearateOM507BX521UNII-OM507BX521DTXSID90621942-AMINOETHANOL OCTADECANOATEEINECS 218-347-32-HYDROXYETHYLAMMONIUM STEARATEETHANOL, 2-AMINO-, STEARATE (SALT)RefChem:167656DTXCID2036455
名称をさらに表示
218-347-3Stearic acid, compound with 2-aminoethanol (1:1)Athanolaminstearatestearic acid ethanolamineSCHEMBL925670NS00081880Octadecanoic acid--2-aminoethan-1-ol (1/1)Q27285728
データベース識別子
- CAS
2129-99-9- PubChem CID
- 168950
- DTXSID
DTXSID9062194- UNII
- OM507BX521
- EC Number
- 218-347-3
物性
構造計算による物性
- 極性表面積
- 83.6 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 4
- 回転可能結合数
- 17
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 212
実験および物理化学的性質
Physical DescriptionLiquid
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 3.3% (2 of 60) of reports.
Danger
H318 (96.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 60 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Octadecanoic acid, compound with 2-aminoethanol (1:1)
Octadecanoic acid, compd. with 2-aminoethanol (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecanoic acid, compd. with 2-aminoethanol (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)
OCTADECANOIC ACID, COMPD. WITH 2-AMINOETHANOL (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 CategoriesEye Dam. 1 (96.7%)
化学と産業
用途と製造
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Octadecanoic acid, compd. with 2-aminoethanol (1:1): ACTIVE
関連反応
1 件
関連ノート
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