1-Eicosene

HCID 18936CAS 27400-78-8

部分構造検索類似構造を探す

基本情報

標準SMILES: C=CCCCCCCCCCCCCCCCCCC
InChIKey: VAMFXQBUQXONLZ-UHFFFAOYSA-N
分子式: C20H40
平均分子量: 280.5 g/mol
単同位体質量: 280.31300128

概要

Eicosene is a hydrocarbon.

名称と識別子

優先名称: 1-Eicosene
IUPAC: icos-1-ene
英語名: Alkenes, C20-24 alpha-
分子式: C22H44
分子量: 0

名称と別名

1-EICOSENE3452-07-1Cetyl ethylenealpha-EicoseneNeodene 206BHH7ZD637NSC-77138DTXSID1029257RefChem:6718DTXCID609257222-374-6Icos-1-ene

名称をさらに表示

Alpha Olefin C2024Alkenes, C20-24 α-Alpha olefins C20-C24Alkenes, C20-24 alpha-

Eicosene1-Icosene.alpha.-Eicosene27400-78-8Methylene nonadecaneMFCD00009013NSC 77138Arachidene

データベース識別子

CAS: 27400-78-8、3452-07-1、52439-84-6、93924-10-8
PubChem CID: 18936
DTXSID: DTXSID1029257
ChEBI: CHEBI:198481
UNII: 6BHH7ZD637
EC Number: 222-374-6
Nikkaji: J43.535J

物性

構造計算による物性

XLogP: 11.1
極性表面積: 0 Å²
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: 17
重原子数: 20
形式電荷: 0
複雑度: 171

実験および物理化学的性質

Chemical ClassesOther Classes -> Aliphatics, Unsaturated

LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]

Vapor Pressure0.0000106 [mmHg]

Physical DescriptionMelting point = 28.5 deg C; [ChemIDplus] Solid; mp = 26-30 deg C; [Aldrich MSDS]

物理化学的性質

沸点: 340 ℃[at · 340℃[at 101 325 Pa]
比重(密度): 0.67 · 0.67-0.76 at 20℃
蒸気圧: 0.017 · 0.017-62000Pa at 20-171.111℃
化粧品成分の機能: スキンコンディショニング
LogP: 1.5 · 1.5-13.96 at 20-25℃ and pH5.4-7
CAS データベース: 93924 · 93924-10-8
EPAの化学物質情報: 20 · Alkenes, C20-24 .alpha.- (93924-10-8)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 26.7% (4 of 15) of reports.

Danger

H304 (73.3%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P301+P316, P331, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 15 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 5 件

Chemical: 1-Eicosene

Eicosene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Eicosene 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.

Status: Active Update: 07-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/11529

1-Eicosene: 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.

Hazards Summary · 1 件

Acute oral studies of rats using C18-C24 alpha olefin mixtures (containing unknown proportions of 1-eicosene) produced no mortalities and an LD50 greater than 10,000 mg/kg; Linear alpha olefins are not skin sensitizers in guinea pigs or humans; In repeated dose studies, higher olefins cause effects on the liver but not reproductive or neurotoxic effects; [EPA ChAMP] May cause irritation; [Aldrich MSDS]

Hazard Classes and CategoriesAsp. Tox. 1 (73.3%)

安全データ

tsca: TSCA listed

化学と産業

用途と製造

Uses · 2 件

The higher olefins are used primarily as chemical intermediates; C18-C20 olefins are used in drilling fluids for off-shore oil exploration; C20-C24 olefins are used in wax applications (i.e., candles, board and box coatings, and polishes), in metal working fluids, and as intermediates for lube oil additives, epoxides (for epoxy resins and polyurethanes), chlorinated plasticizers for PVC, and fire retardant agents; [EPA ChAMP]

Metal Machining [Category: Heat or Machine]

U.S. Production2023: <50,000 lb

General Manufacturing Information · 2 件

1-Eicosene: ACTIVE

Eicosene: ACTIVE