1,1-Diethoxy-3-methyl-2-butene

HCID 5215320CAS 1740-74-5

基本情報

標準SMILES: CCOC(C=C(C)C)OCC
InChIKey: SFUKGEREDDIOED-UHFFFAOYSA-N
分子式: C9H18O2
平均分子量: 158.24 g/mol
単同位体質量: 158.13067982

名称と識別子

優先名称: 1,1-Diethoxy-3-methyl-2-butene
IUPAC: 1,1-diethoxy-3-methylbut-2-ene
英語名: 1 1-Diethoxy-3-methyl-2-butene 97
分子式: C9H18O2
分子量: 158.24

名称と別名

1,1-Diethoxy-3-methyl-2-butene1740-74-5DTXSID00410564RefChem:213637DTXCID50361416625-498-21,1-diethoxy-3-methylbut-2-ene2-Butene, 1,1-diethoxy-3-methyl-Prenal diethyl acetaMFCD030939681 1-DIETHOXY-3-METHYL-2-BUTENE 973,3-Dimethylacrolein diethyl acetal; 3-Methyl-2-butenal diethyl acetal

名称をさらに表示

1 1-Diethoxy-3-methyl-2-butene 971,1-Diethoxy-3-Methyl-2-butene 97%

3-methyl-2-butenal diethyl acetalSCHEMBL295250SFUKGEREDDIOED-UHFFFAOYSA-NAKOS015913082beta-methyl-crotonaldehyde diethylacetal1,1-Diethoxy-3-methyl-2-butene, 97%SY366695DB-064936

データベース識別子

CAS: 1740-74-5
PubChem CID: 5215320
DTXSID: DTXSID00410564
EC Number: 625-498-2
Nikkaji: J605.097B

物性

構造計算による物性

XLogP: 2.3
極性表面積: 18.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 11
形式電荷: 0
複雑度: 109

物理化学的性質

沸点: 53 · 53-58 °C/20 mmHg (lit.)
比重(密度): 0.837 g/mL · 0.837 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.421(lit.)
闪点: 140 °F · 140 °F
InChI: 1S/C9H18O2/c1-5-10-9(11-6-2)7-8(3)4/h7,9H,5-6H2,1-4H3
InChIKey: SFUKGEREDDIOED-UHFFFAOYSA-N
SMILES: CCOC(OCC)\C=C(\C)C

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, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
ridadr: UN 3271 3/PG 3
Hazard Classifications: Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野

使用1,1-Diethoxy-3-methyl-2-butene may be used in the synthesis of:6,6,10-trimethyl-4-propyl-10,11-dihydro-2H,6H,12H-dipyrano[2,3-f:2′,3′-h]chromene-2,12-dioneangular pyranocoumarins6-cyano-2,2-dimethyl-2-H-1-benzopyran

一般的な説明1,1-Diethoxy-3-methyl-2-butene is an acyclic alkene.