1-エテニルシクロヘキサノール

1-Vinylcyclohexyl alcohol

HCID 74741CAS 1940-19-8

部分構造検索類似構造を探す

基本情報

標準SMILES: C=CC1(O)CCCCC1
InChIKey: ZXKHOVDDJMJXQP-UHFFFAOYSA-N
分子式: C8H14O
平均分子量: 126.2 g/mol
単同位体質量: 126.10446507

名称と識別子

優先名称: 1-Vinylcyclohexyl alcohol
IUPAC: 1-ethenylcyclohexan-1-ol
現地名: 1-エテニルシクロヘキサノール
英語名: 1-Vinylcyclohexanol 97
分子式: C8H14O
分子量: 126.2

名称と別名

1-Vinylcyclohexanol1940-19-81-Vinylcyclohexyl alcoholCyclohexanol, 1-vinyl-Cyclohexanol, 1-ethenyl-1-Ethenylcyclohexanol1-Ethenyl-cyclohexanol1-vinyl-1-cyclohexanol1-Vinylcyclohexan-1-ol1-Vinyl-cyclohexanol-(1)EINECS 217-718-71-Vinyl-cyclohexanol-(1) [German]

名称をさらに表示

1-エテニルシクロヘキサン-1-オール1-ビニルシクロヘキサノール1-ビニル-1-シクロヘキサノール1-エテニルシクロヘキサノール1-vinyl-cyclohexano1-Vinylcyclohexanol 971-Vinylcyclohexanol ,50%1-Ethenylcyclohexan-1-ol1-vinylcyclohexylalcohol

NSC 62184BRN 13056599B9NGC979XAI3-25140NSC-62184DTXSID301730194-06-00-00222 (Beilstein Handbook Reference)1-HYDROXY-1-VINYLCYCLOHEXANE

データベース識別子

CAS: 1940-19-8
PubChem CID: 74741
DTXSID: DTXSID30173019
UNII: 9B9NGC979X
EC Number: 217-718-7
Nikkaji: J55.437E

物性

構造計算による物性

XLogP: 1.8
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 101

物理化学的性質

融点: 4 °C · 4 °C
沸点: 74 °C19 · 74 °C19 mm Hg(lit.)
比重(密度): 0.942 g/mL · 0.942 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.478(lit.)
闪点: 158 °F · 158 °F
酸解離定数(Pka): 14.56 · 14.56±0.20(Predicted)
InChI: 1S/C8H14O/c1-2-8(9)6-4-3-5-7-8/h2,9H,1,3-7H2
InChIKey: ZXKHOVDDJMJXQP-UHFFFAOYSA-N
SMILES: OC1(CCCCC1)C=C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
rtecs: GW0890000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

使用1-Vinyl cyclohexanol may be used to synthesize:1-vinyl-1-cyclohexene1-vinyl-1-cyclohexylacrylatecyclohexylideneacetaldehyde

一般的な説明1-Vinyl cyclohexanol, also known as 1-vinyl-1-cyclohexanol, is a tertiary allylic alcohol. It can be synthesized from cyclohexanone and vinyl chloride. It can undergo transition-metal-free tandem allylic borylation in the presence of B2pin [bis(pinacolato)diboron], Cs2CO3, THF and MeOH to yield triborated product. Pd-fullerite catalysts have been prepared which effectively catalyzes the hydrogenation of 1-ethynyl-1-cyclohexanol to 1-vinyl-1-cyclohexanol.