1-シクロヘキセニルエチン

1-Ethynylcyclohexene

HCID 79128CAS 931-49-7

部分構造検索類似構造を探す

基本情報

標準SMILES: C#CC1=CCCCC1
InChIKey: DKFHWNGVMWFBJE-UHFFFAOYSA-N
分子式: C8H10
平均分子量: 106.16 g/mol
単同位体質量: 106.07825032

概要

structure in first source

名称と識別子

優先名称: 1-Ethynylcyclohexene
IUPAC: 1-ethynylcyclohexene
現地名: 1-シクロヘキセニルエチン
英語名: 1-Ethynylcyclohexene
分子式: C8H10
分子量: 106.17

名称と別名

1-ethynylcyclohexene931-49-7Cyclohexene, 1-ethynyl-1-ethynyl-1-cyclohexene7TJ42SRP2ZDTXSID5073244RefChem:432735DTXCID9048855618-915-41-ethynylcyclohex-1-eneethynylcyclohexeneMFCD00001568

名称をさらに表示

1-シクロヘキセニルエチン(1-シクロヘキセニル)エチン(1-シクロヘキセニル)アセチレン1-シクロヘキセニルアセチレン1-エチニルシクロヘキセン1-エチニル-1-シクロヘキセン1-(1-シクロヘキセニル)エチン1-(1-シクロヘキセニル)アセチレン1-エチニルシクロヘキサ-1-エンTIMTEC-BB SBB0026481-ethynyl-cyclohexen1-ethvnvlcvclohexene1-Cyclohexenylacetylene1-(1-Cyclohexenyl)ethyne

(1-Cyclohexenyl)acetyleneUNII-7TJ42SRP2Z1-ETHYNYL-CYCLOHEXENEcyclohexenylacetylene1-Ethynylcyclohexene, 99%CYCLOHEX-1-ENYLACETYLENESY045891F14623

データベース識別子

CAS: 931-49-7
PubChem CID: 79128
DTXSID: DTXSID5073244
ChEMBL: CHEMBL232741
UNII: 7TJ42SRP2Z
EC Number: 618-915-4
Nikkaji: J329.372F

物性

構造計算による物性

XLogP: 2.3
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: 1
重原子数: 8
形式電荷: 0
複雑度: 143

実験および物理化学的性質

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

物理化学的性質

沸点: 148 · 148-151 °C(lit.)
比重(密度): 0.903 g/mL · 0.903 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.496(lit.)
闪点: 85 °F · 85 °F
貯蔵温度: 2 · 2-8°C
外見: clear liquid
色: Colorless to Light orange to Yellow
InChI: 1S/C8H10/c1-2-8-6-4-3-5-7-8/h1,6H,3-5,7H2
InChIKey: DKFHWNGVMWFBJE-UHFFFAOYSA-N
SMILES: C#CC1=CCCCC1
EPAの化学物質情報: 1 · Cyclohexene, 1-ethynyl- (931-49-7)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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 · 2 件

Chemical: Cyclohexene, 1-ethynyl-

Cyclohexene, 1-ethynyl-: 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 CategoriesFlam. Liq. 3 (100%)