アクリル酸2-プロピニル

Propargyl acrylate

HCID 82655CAS 10477-47-1

部分構造検索類似構造を探す

基本情報

標準SMILES: C#CCOC(=O)C=C
InChIKey: WPBNLDNIZUGLJL-UHFFFAOYSA-N
分子式: C6H6O2
平均分子量: 110.11 g/mol
単同位体質量: 110.03677943

名称と識別子

優先名称: Propargyl acrylate
IUPAC: prop-2-ynyl prop-2-enoate
現地名: アクリル酸2-プロピニル
英語名: PROPARGYL ACRYLATE
分子式: C6H6O2
分子量: 110.11

名称と別名

Propargyl acrylate10477-47-12-Propenoic acid, 2-propynyl ester2-Propynyl acrylate2-Propenoic acid, 2-propyn-1-yl esterUCB3ZIC58QEINECS 233-975-8UNII-UCB3ZIC58QNSC 245495NSC-245495DTXSID30650872-PROPYN-1-OL, ACRYLATE

名称をさらに表示

プロペン酸2-プロピニルアクリル酸2-プロピニルアクリル酸プロパルギル2-プロピニルアクリラートCH2=CHCO2CH2C≡CHTIMTEC-BB SBB008981Propargyl acrylate 98%2-propyn-1-yl propenoateprop-2-ynylprop-2-enoate

ACRYLIC ACID, 2-PROPYNYL ESTERRefChem:176391DTXCID7032892WPBNLDNIZUGLJL-UHFFFAOYSA-Nprop-2-ynyl prop-2-enoateprop-2-yn-1-yl acrylateAcrylic acid propargyl esterprop-2-yn-1-yl prop-2-enoate

データベース識別子

CAS: 10477-47-1
PubChem CID: 82655
DTXSID: DTXSID3065087
ChEMBL: CHEMBL4065948
UNII: UCB3ZIC58Q
EC Number: 233-975-8
Nikkaji: J212.415G

物性

構造計算による物性

XLogP: 0.8
極性表面積: 26.3 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: 3
重原子数: 8
形式電荷: 0
複雑度: 138

物理化学的性質

沸点: 142 · 142-143 °C (lit.)
比重(密度): 0.997 g/mL · 0.997 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.447(lit.)
闪点: 110 °F · 110 °F
水溶解度: 水と混和しないか、または混合しにくい。
BRN: 1902961 · 1902961
InChI: 1S/C6H6O2/c1-3-5-8-6(7)4-2/h1,4H,2,5H2
InChIKey: WPBNLDNIZUGLJL-UHFFFAOYSA-N
SMILES: C=CC(=O)OCC#C
CAS データベース: 10477 · 10477-47-1(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2-Propenoic acid, 2-propynyl ester (10477-47-1)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (78.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 61 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesFlam. Liq. 3 (78.7%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3272 3/PG 3
hs_code: 29159000
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 16-26-36
hazard_class: 6.1
packing_group: II
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 Information2-Propenoic acid, 2-propyn-1-yl ester: ACTIVE

応用分野 · 2 件

使用Propargyl acrylate may be used to synthesize:linear poly(N-isopropylacrylamide)(PNIPAM)1-[3-(2-methyl-2-dodecylsulfanylthiocarbonylsulfanylpropionyloxy)propyl]-1H-[1,2,3]triazol-4-ylmethyl acrylate, an acryloyl trithiocarbonate chain transfer agentpropranolol-imprinted core–shell nanoparticles (mipCS)

一般的な説明Propargyl acrylate is a propargyl ester of acrylic acid. It participates in the preparation of lipid nanoparticles for use in siRNA delivery.