基本情報
- CAS
131459-42-2- 標準SMILES
C=CCCCCCCCCCCCCCCCCCCCC- InChIKey
SPURMHFLEKVAAS-UHFFFAOYSA-N- 分子式
- C22H44
- 平均分子量
- 308.6 g/mol
- 単同位体質量
- 308.3443014
概要
1-docosene is an alkene that is docosane with an unsaturation at position 1. Metabolite observed in cancer metabolism. It has a role as a human metabolite.
名称と識別子
- 優先名称
- 1-Docosene
- IUPAC
- docos-1-ene
- 英語名
- Alkenes, C24-54-branched and linear .alpha.-
- 分子量
- 0
名称と別名
1-Docosene1599-67-3UNII-AAM97MY7YBAAM97MY7YBNSC 78486EINECS 216-490-6NSC-78486AI3-36497DTXSID5029219CHEBI:84220EC 216-490-6RefChem:25804
名称をさらに表示
Alkenes, C24-54-branched and linear .alpha.-
DTXCID209219216-490-6docos-1-eneDocoseneMFCD0002708529730-67-41-Docosene; >99%SCHEMBL339474
データベース識別子
- CAS
131459-42-2、1599-67-3、29730-67-4- PubChem CID
- 74138
- DTXSID
DTXSID5029219- ChEBI
CHEBI:84220- UNII
- AAM97MY7YB
- EC Number
- 216-490-6
- Nikkaji
- J104.204A
物性
構造計算による物性
- XLogP
- 12.2
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 19
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 194
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Physical DescriptionLiquid
物理化学的性質
- EPAの化学物質情報
- 24 · Alkenes, C24-54-branched and linear .alpha.- (131459-42-2)
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
H304 (60%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 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
Chemical: 1-Docosene
Docosene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Docosene 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)
1-Docosene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Docosene 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Docos-1-ene (EC: 216-490-6)
1-Docosene: 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 CategoriesAsp. Tox. 1 (60%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production
2023: <50,000 lb
2023: 8,500,000 - <25,000,000 lb
Consumer UsesLubricating agent
Industry UsesLubricating agent
General Manufacturing Information
Petrochemical Manufacturing
1-Docosene: ACTIVE
Docosene: ACTIVE
サプライヤー58 社
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関連反応
3 件
化合物ノート
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