tert-ブチルオキシラン

2-tert-Butyloxirane

HCID 92174CAS 2245-30-9

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(C)C1CO1
InChIKey: HEAYDCIZOFDHRM-UHFFFAOYSA-N
分子式: C6H12O
平均分子量: 100.16 g/mol
単同位体質量: 100.088815

名称と識別子

優先名称: 2-tert-Butyloxirane
IUPAC: 2-tert-butyloxirane
現地名: tert-ブチルオキシラン
英語名: 3,3-Dimethyl-1,2-epoxybutane
分子式: C6H12O
分子量: 100.16

名称と別名

3,3-Dimethyl-1,2-epoxybutane2-tert-Butyloxiranetert-Butyloxirane1,1-Dimethylethyl-oxiraneEINECS 218-831-4NSC 356829Oxirane, 2-(1,1-dimethylethyl)-RefChem:267171218-831-4HEAYDCIZOFDHRM-UHFFFAOYSA-N2245-30-9tert-Butylethylene oxide

名称をさらに表示

2-tert-ブチルオキシラン2-(1,1-ジメチルエチル)オキシランtert-ブチルオキシラン3,3-ジメチル-1,2-エポキシブタン3,3-ジメチル-1,2-エポキシブタン, 95%Nsc356829NISTC22453093,3-Dimethyl-2-epoxybutane2-(1,1-Dimethylethyl)oxirane

3,3-Dimethylbutene oxideMFCD000515902-(tert-butyl)oxiraneOxirane, (1,1-dimethylethyl)-3,3-dimethyl-1-butene oxide1,2-epoxy-3,3-dimethylbutane(+/-)-2-(tert-Butyl)oxiraneButane, 1,2-epoxy-3,3-dimethyl-

データベース識別子

CAS: 2245-30-9
PubChem CID: 92174
DTXSID: DTXSID001020954
UNII: Y989ZTU93M
EC Number: 218-831-4
Nikkaji: J213.137D

物性

構造計算による物性

XLogP: 1.6
極性表面積: 12.5 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 7
形式電荷: 0
複雑度: 70.7

物理化学的性質

沸点: 95 · 95-96°C
比重(密度): 0 · 0,822 g/cm3
屈折率: 1.401 · 1.4010
闪点: -1 °C · -1°C
外見: liquid
色: Colourless
BRN: 102478 · 102478
InChI: InChI=1S/C6H12O/c1-6(2,3)5-4-7-5/h5H,4H2,1-3H3
InChIKey: HEAYDCIZOFDHRM-UHFFFAOYSA-N
SMILES: O1CC1C(C)(C)C

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (85.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationChemical: Oxirane, (1,1-dimethylethyl)-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesFlam. Liq. 2 (85.7%)

安全データ

wgk: WGK 3
ridadr: 1993
hs_code: 2910900090
risk_code: 11-36/37/38-22
hazard_code: Xn
safety_code: 16-23-33-36
hazard_class: 3
packing_group: II
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

説明3,3-Dimethyl-1,2-epoxybutane is a hydrocarbon organic compound that can be synthesised by the high-temperature reaction of isopropyl chloride with excess styrene in organic solvents and purified by distillation and recrystallisation.3,3-Dimethyl-1,2-epoxybutane reacts with alkyl halides to form a homologous series of epoxides. It also reacts stereoselectively with aldehydes and ketones.

使用3,3-Dimethyl-1,2-epoxybutane is used as pharm and intermediates.