1-Eicosene

HCID 18936CAS 27400-78-8

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기본 정보

표준 SMILES: C=CCCCCCCCCCCCCCCCCCC
InChIKey: VAMFXQBUQXONLZ-UHFFFAOYSA-N
분자식: C20H40
평균 분자량: 280.5 g/mol
단동위원소 질량: 280.31300128

개요

Eicosene is a hydrocarbon.

이름 및 식별자

우선 이름: 1-Eicosene
IUPAC: icos-1-ene
영어명: Alkenes, C20-24 alpha-
분자식: C22H44
분자량: 0

이름 및 동의어

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

이름 더 보기

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

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 11.1
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 17
무거운 원자 수: 20
형식 전하: 0
복잡도: 171

실험 및 물리화학적 성질

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]

물리화학적 성질

끓는 점: 340 ℃[at · 340℃[at 101 325 Pa]
밀도: 0.67 · 0.67-0.76 at 20℃
증기압: 0.017 · 0.017-62000Pa at 20-171.111℃
화장품 원료 기능: 피부 컨디셔닝
LogP: 1.5 · 1.5-13.96 at 20-25℃ and pH5.4-7
EPA: 20 · Alkenes, C20-24 .alpha.- (93924-10-8)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 5건

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 · 1건

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%)

안전 데이터

tsca: TSCA listed
기존화학 물질: KE-00606

화학 및 산업

용도 및 제조

Uses · 2건

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 · 2건

1-Eicosene: ACTIVE

Eicosene: ACTIVE