炭酸O,O-ジアリル

Carbonic acid, di-2-propen-1-yl ester

HCID 84764CAS 15022-08-9

部分構造検索類似構造を探す

基本情報

標準SMILES: C=CCOC(=O)OCC=C
InChIKey: JKJWYKGYGWOAHT-UHFFFAOYSA-N
分子式: C7H10O3
平均分子量: 142.15 g/mol
単同位体質量: 142.06299418

名称と識別子

優先名称: Carbonic acid, di-2-propen-1-yl ester
IUPAC: bis(prop-2-enyl) carbonate
現地名: 炭酸O,O-ジアリル
英語名: Diallyl carbonate
分子式: C7H10O3
分子量: 142.15

名称と別名

Diallyl carbonate15022-08-9Carbonic acid, di-2-propen-1-yl esterEINECS 239-106-9NSC 19177DTXSID6065846EC 239-106-9RefChem:123600DTXCID8034871239-106-9JKJWYKGYGWOAHT-UHFFFAOYSA-NAllyl carbonate

名称をさらに表示

炭酸O,O-ジアリル炭酸ジアリルジアリル=カルボナートビス(プロパ-2-エン-1-イル) カルボナートAllyl carbonate 99%Diallyl carbonate 99%Carbonic acid diallylCarbonic acid O,O-diallyl estercarbonicacid,di-2-propenylester

Carbonic acid, di-2-propenyl esterbis(prop-2-enyl) carbonatediallylcarbonateCarbonic acid, diallyl esterMFCD00008645NSC-19177di-allyl carbonateDiallyl carbonate, 99%

データベース識別子

CAS: 15022-08-9
PubChem CID: 84764
DTXSID: DTXSID6065846
UNII: J9P2G65CXJ
EC Number: 239-106-9
Nikkaji: J23.984D

物性

構造計算による物性

XLogP: 1.8
極性表面積: 35.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 6
重原子数: 10
形式電荷: 0
複雑度: 115

物理化学的性質

融点: 25 °C · 25°C
沸点: 95 · 95-97 °C60 mm Hg(lit.)
比重(密度): 0.991 g/mL · 0.991 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.428(lit.)
闪点: 138 °F · 138 °F
貯蔵温度: 2 · 2-8°C
外見: liquid
InChI: 1S/C7H10O3/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2
InChIKey: JKJWYKGYGWOAHT-UHFFFAOYSA-N
SMILES: C=CCOC(=O)OCC=C
EPAの化学物質情報: -2 · Carbonic acid, di-2-propen-1-yl ester (15022-08-9)

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 InformationStatus: Active Update: 11-01-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/12613

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

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3272 3/PG 3
risk_code: 36/37/38
化審法: 新規公示化学物質（2011年3月31日以前届出）
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: 3.2
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationCarbonic acid, di-2-propen-1-yl ester: INACTIVE

応用分野 · 2 件

使用Transesterification of diallyl carbonate with glycerol in the presence of a catalyst (Pd/PPh3), generates glycerol carbonate.

一般的な説明Diallyl carbonate is an acrylating agent. Allyl carbonates are widely employed in Tsuji-Trost allylation, generating carbanion, boronate, phosphide, amide and alkoxide, nucleophiles in situ and improving reaction rates over allyl acetate. Allyl carbonates are also of considerable interest for the intramolecular decarboxylative assymetric couplings.