Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate
基本情報
- CAS
67762-64-5- 標準SMILES
CCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCC- InChIKey
CIPBJDPIFXKOLJ-UHFFFAOYSA-N- 分子式
- C18H34O5
- 平均分子量
- 330.5 g/mol
- 単同位体質量
- 330.24062418
名称と識別子
- 優先名称
- Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate
- IUPAC
- [2-(hydroxymethyl)-2-(pentanoyloxymethyl)butyl] heptanoate
名称と別名
Trimethylolpropane valerate heptanoate67762-64-5EINECS 267-029-0Heptanoic acid, valeric acid, trimethylolpropane esterEC 267-029-0Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoateRefChem:783701267-029-02-(hydroxymethyl)-2-((pentanoyloxy)methyl)butyl heptanoate2-(hydroxymethyl)-2-[(pentanoyloxy)methyl]butyl heptanoateSCHEMBL2534728CIPBJDPIFXKOLJ-UHFFFAOYSA-N
データベース識別子
- CAS
67762-64-5- PubChem CID
- 106781
- EC Number
- 267-029-0
物性
構造計算による物性
- XLogP
- 4.2
- 極性表面積
- 72.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 16
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 329
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 99.2% (503 of 507) of all reports.
Not Classified
Aggregated GHS information provided per 507 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate
Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate 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)
REACH registered substance: Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate (EC: 267-029-0)
Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate: 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 CategoriesNot Classified
化学と産業
用途と製造
U.S. Production2023: 250,000 - <550,000 lb
Consumer UsesLubricating agent
Industry UsesLubricating agent
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
Heptanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol pentanoate: ACTIVE
関連反応
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化合物ノート
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