1-オクタデセン

1-Octadecene

HCID 8217CAS 112-88-9

部分構造検索類似構造を探す

基本情報

標準SMILES: C=CCCCCCCCCCCCCCCCC
InChIKey: CCCMONHAUSKTEQ-UHFFFAOYSA-N
分子式: C18H36
平均分子量: 252.5 g/mol
単同位体質量: 252.28170115

概要

Octadec-1-ene is an octadecene with unsaturation at C-1.

名称と識別子

優先名称: 1-Octadecene
IUPAC: octadec-1-ene
現地名: 1-オクタデセン
英語名: 1-OCTADECENE
分子式: C18H36
分子量: 252.48

名称と別名

1-OCTADECENE112-88-9Octadec-1-enealpha-OctadeceneDTXSID3026932H5ZUQ6V4AKNSC-66460DTXCID106932CHEBI:30824RefChem:6721204-012-9OCTADECENE

名称をさらに表示

1-オクタデセンα-オクタデシレン１オクタデセン1-オクタデセン [GC用標準物質]オクタデカ-1-エン1‐オクタデセン1-オクタデセン, ANALYTICAL GRADE, 99.5%, IN METHANOL (1000ΜG/ML)1-Octadecene, tech-95Dialen 181-Octadecane1-Octadecene, 90%, techNSC 664601 - oleicNeodene 18

.alpha.-OctadeceneOctadecene-1MFCD0000900327070-58-21-Octadecene, analytical standardalpha-octadecyleneOctadecylene alpha-UNII-H5ZUQ6V4AK

データベース識別子

CAS: 112-88-9、27070-58-2
PubChem CID: 8217
DTXSID: DTXSID3026932
ChEMBL: CHEMBL3187417
ChEBI: CHEBI:30824
UNII: H5ZUQ6V4AK
EC Number: 204-012-9、248-205-6
Nikkaji: J43.500G

物性

構造計算による物性

XLogP: 10
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: 15
重原子数: 18
形式電荷: 0
複雑度: 148

実験および物理化学的性質

Chemical ClassesOther Classes -> Aliphatics, Unsaturated

LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]

SpringerMaterials PropertiesBoiling point

Vapor Pressure0.0000675 [mmHg]

Physical Description · 3 件

Liquid

Melting point = 17.5 deg C; [ChemIDplus] Colorless liquid; mp = 18.3 deg C; [OECD SIDS: Higher Olefins - 2004]

物理化学的性質

融点: 14 · 14-16 °C(lit.)
沸点: 179 °C15 · 179 °C15 mm Hg(lit.)
比重(密度): 0.789 g/mL · 0.789 g/mL at 25 °C(lit.)
蒸気密度: 0.71 · 0.71 (vs air)
蒸気圧: 1.3 hPa · 1.3 hPa (20 °C)
屈折率: 20 · n20/D 1.444(lit.)
闪点: 300 °F · 300 °F
貯蔵温度: 30 °C · Store below +30°C.
外見: 液体
比重: 0.789 · 0.789
色: 無色透明～琥珀色
臭い (Odor): 穏やかな炭化水素臭
水溶解度: アルコール、アセトン、エーテルと混和します。水と混和しない。
BRN: 1761067 · 1761067
主な用途: 環境石油
InChI: 1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3
InChIKey: CCCMONHAUSKTEQ-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCC=C
LogP: 9.47 · 9.470 (est)
CAS データベース: 112 · 112-88-9(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1-Octadecene (112-88-9)

化学的性質

化学的特性CLEAR COLOURLESS TO AMBER LIQUID

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 3% (25 of 827) of reports.

Danger

H304 (97%): 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 827 reports by companies from 5 notifications to the ECHA C&L Inventory.

This chemical does not meet GHS hazard criteria for 2.8% (3 of 106) of reports.

危険有害性情報

Regulatory Information · 6 件

Chemical: 1-Octadecene

1-Octadecene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octadecene 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)

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

Status: Active Update: 15-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/2000

Status: Active Update: 15-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13253

1-Octadecene: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

In a skin irritation study of human volunteers, 16 of 18 subjects exhibited moderate to strong erythema, edema, and papules 30 minutes after application; At 24 hours, 17 had similar signs, with 9 of these showing effects that spread beyond the application site; Not a skin sensitizer in a study of 36 human volunteers; [IUCLID] May cause irritation; [Aldrich MSDS]

Hazard Classes and Categories · 2 件

Asp. Tox. 1 (97%)

Asp. Tox. 1 (97.2%)

安全データ

wgk: 3
tsca: TSCA listed
毒性: LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rabbit > 10000 mg/kg
hs_code: 29012990
risk_code: 65-66
化審法: (2)-27
消防法: 危-4-3-III
hazard_code: Xn
safety_code: 23-24/25-62
自然発火温度: 482 °F
Hazard Classifications: Asp. Tox. 1
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

Uses · 2 件

Used as an intermediate for lube oil additives, surfactants, and hydraulic fluids and additives; Also used in drilling fluids for off-shore oil exploration; [OECD SIDS: Higher Olefins - 2004]

Petroleum Production and Refining [Category: Industry]

U.S. Production · 2 件

2023: 100,000,000 - <250,000,000 lb

2023: 55,000,000 - <70,000,000 lb

Consumer UsesSizing agent

Industry Uses · 2 件

Intermediate

Other

General Manufacturing Information · 4 件

Oil and Gas Drilling, Extraction, and Support activities

1-Octadecene: ACTIVE

Octadecene: ACTIVE

応用分野

使用1-Octadecene is used for the preparation of alkene-terminated silicon alkyl monolayers, nanocrystals, nanoplatelets and quantum dots.

一般的な説明The copolymerization of ethylene and 1-octadecene using a bridged metallocene has been studied. Monolayers of 1-octadecene were attached on a hydrogen-terminated (111) silicon surface via free-radical reaction.