Allyl benzyl ether (HCID 84542)

名称と識別子

優先名称: Allyl benzyl ether
IUPAC: prop-2-enoxymethylbenzene
現地名: アリルベンジルエーテル
英語名: Allyl Benzyl Ether
分子式: C10H12O
分子量: 148.2

名称と別名

Allyl benzyl etherEther, allyl benzylBenzyl allyl etheralpha-(Allyloxy)tolueneBQZ35CE79EBenzene, [(2-propenyloxy)methyl]-Benzene, ((2-propenyloxy)methyl)-C6H5CH2OCH2CH=CH2DTXSID30745293-(BENZYLOXY)-1-PROPENE((2-PROPEN-1-YLOXY)METHYL)BENZENERefChem:110860

名称をさらに表示

アリルベンジルエーテル[(アリルオキシ)メチル]ベンゼン2-プロペニルベンジルエーテル(アリルオキシメチル)ベンゼンベンジルアリルエーテルベンジル2-プロペニルエーテル3-(ベンジルオキシ)-1-プロペン(ベンジル)(アリル)エーテル((アリルオキシ)メチル)ベンゼンアリル=ベンジル=エーテル[(プロパ-2-エン-1-イルオキシ)メチル]ベンゼンAi3-07338((Allyloxy)Einecs 238-638-9Ally| Benzyl EtherAllyl benzyl ether 99%Allyl Benzyl Ether >Benzyl 2-propenyl ether

DTXCID2034750HUGHWHMUUQNACD-UHFFFAOYSA-N14593-43-2((Allyloxy)methyl)benzeneprop-2-enoxymethylbenzeneAllyloxymethylbenzene[(prop-2-en-1-yloxy)methyl]benzeneMFCD00078288

データベース識別子

CAS: 14593-43-2
PubChem CID: 84542
DTXSID: DTXSID3074529
ChEMBL: CHEMBL3905781
UNII: BQZ35CE79E
EC Number: 238-638-9
Nikkaji: J47.873C

物性

構造計算による物性

XLogP: 2.6
極性表面積: 9.2 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: 4
重原子数: 11
形式電荷: 0
複雑度: 103

実験および物理化学的性質

LogP2.41

物理化学的性質

沸点: 204 · 204-205 °C (lit.)
比重(密度): 0.959 g/mL · 0.959 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.507(lit.)
闪点: 169 °F · 169 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: clear liquid
色: Colorless to Almost colorless
比重: 0.96 · 0.96
InChI: 1S/C10H12O/c1-2-8-11-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2
InChIKey: HUGHWHMUUQNACD-UHFFFAOYSA-N
SMILES: C=CCOCc1ccccc1
EPAの化学物質情報: Benzene, [(2-propenyloxy)methyl]- (14593-43-2)

化学的性質

化学的特性Colorless liquid. B.P. 205℃. Sweet-ethereal odor with somewhat fruity undertone. Could find use in perfumery, but the matetial as such is not very interesting or characteristic, does not offer any specific olfactory advantage.

化学的特性Colorless to Almost colorless clear liquid.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationChemical: Benzene, [(2-propenyloxy)methyl]-

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
ridadr: NA 1993 / PGIII
hs_code: 2916310090
消防法: 危-4-3-III
safety_code: 23-24/25
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

説明Base polymer primarily from isobutylene with some 1- and 2-butene.

調製方法

製造方法Benzyl alcohol (108 mg, 1 mmol) was converted to allyl benzyl ether 11 in 96% yield in 4×5 h. IR (neat): 1630, 1090 cm–1 ; 1H NMR: d 7×34 (m, 5H), d 5×9–6×0 (m, 1H), d 5×17–5×35 (m, 2H), d 4×5 (s, 2H), d 4×04 (d, J = 1×46 Hz, 2H).