1-オクチン

1-Octyne

HCID 12370
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基本情報

CAS
32073-03-3
標準SMILES
C#CCCCCCC
InChIKey
UMIPWJGWASORKV-UHFFFAOYSA-N
分子式
C8H14
平均分子量
110.2 g/mol
単同位体質量
110.10955045

名称と識別子

優先名称
1-Octyne
IUPAC
oct-1-yne
現地名
1-オクチン
英語名
1-Octyne
分子式
C8H14
分子量
110.2

名称と別名

1-OCTYNEoct-1-yne629-05-0Hexylacetylene7S3FMU8W67DTXSID9060863RefChem:76790DTXCID4043565211-069-3EINECS 211-069-3MFCD00009546BRN 1734494
名称をさらに表示
1-オクチンヘキシルアセチレン1オクチン1‐オクチンオクト-1-インオクタ-1-イン1-0ctyne1-0ctin1-Acetynecaprylidene1-Octyne>1-Octyne,99%1-OCTYNE 98%
32073-03-3EC 211-069-34-01-00-01034 (Beilstein Handbook Reference)Octyne-11-Octine; Hexylacetylene; n-Hexylacetylene1-Octyne, 97%n-hexylacetyliden-octyne

データベース識別子

CAS
32073-03-3、629-05-0
PubChem CID
12370
DTXSID
DTXSID9060863
UNII
7S3FMU8W67
EC Number
211-069-3
Nikkaji
J21.021H

物性

構造計算による物性

XLogP
3.5
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
4
重原子数
8

実験および物理化学的性質

Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesBoiling point
LogP3.92
Vapor Pressure13.6 [mmHg]
Physical DescriptionClear colorless liquid; [Aldrich MSDS]

物理化学的性質

融点
-80 °C · -80 °C (lit.)
沸点
127 · 127-128 °C (lit.)
比重(密度)
0.747 g/mL · 0.747 g/mL at 25 °C (lit.)
蒸気圧
37.7 mm · 37.7 mm Hg ( 37.7 °C)
屈折率
20 · n20/D 1.416(lit.)
闪点
64 °F · 64 °F

化学的性質

化学的特性CLEAR COLOURLESS TO YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 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 · 3 件

Chemical: 1-Octyne

Status: Active Update: 26-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/16615

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

Hazards SummaryMay cause irritation; May be fatal by ingestion and inhalation; It is an aspiration hazard by ingestion; [Aldrich MSDS] See 4-Nonyne.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

安全データ

wgk
3
tsca
TSCA listed
rtecs
RI2655000
ridadr
UN 3295 3/PG 2
毒性
dns-ham:lvr 100 mmol/L CRNGDP 6,1201,85
hs_code
29012980

化学と産業

用途と製造

General Manufacturing Information1-Octyne: ACTIVE
応用分野 · 2 件

用途有機合成原料。

使用1-Octyne is widely used in organic reactions such as halogenation, hydration, oxidative cleavage, hydrogenation, hydrohalogenation, nitrile formation, polymerization and substitution reactions. It is used a precursor for the preparation of monohalogen substituted akenes or dihalogen substituted alkanes on treated with hydrogen halides.

調製方法

純化方法Distil I-octyne from NaBH4 to remove peroxides. Fractionate it through a 10inch Widmer column (p 11) at 125-126o/759mm [Sletzinger & Dawson J Org Chem 14 853 1949.] [Beilstein 1 III 1005, 1 IV 1034.]

上流・下流製品情報

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