フェニルプロパルギル酸エチル

2-Propynoic acid, 3-phenyl-, ethyl ester

HCID 91516

基本情報

CAS
2216-94-6
標準SMILES
CCOC(=O)C#Cc1ccccc1
InChIKey
ACJOYTKWHPEIHW-UHFFFAOYSA-N
分子式
C11H10O2
平均分子量
174.2 g/mol
単同位体質量
174.06807956

概要

Ethyl phenylpropiolate is a clear pale yellow liquid. (NTP, 1992)

名称と識別子

優先名称
2-Propynoic acid, 3-phenyl-, ethyl ester
IUPAC
ethyl 3-phenylprop-2-ynoate
現地名
フェニルプロパルギル酸エチル
英語名
ETHYL PHENYLPROPIOLATE
分子式
C11H10O2
分子量
174.2

名称と別名

Ethyl phenylpropiolate2216-94-6Ethyl 3-phenylpropiolateEthylphenylpropiolateEthyl phenylacetylenecarboxylate2-Propynoic acid, 3-phenyl-, ethyl esterEthyl 3-phenyl-2-propynoateEthyl phenylpropynoatePropiolic acid, phenyl-, ethyl esterPhenylacetylene monocarboxylic acid ethyl ester09CYB3Z9MRDTXSID9074858
名称をさらに表示
フェニルプロピン酸エチル3-ベンゼンプロピオル酸エチル2-フェニルエチン-1-カルボン酸エチル3-フェニルプロピオル酸エチルフェニルプロピオール酸エチルベンゼンプロピオル酸エチルベンゼンプロパルギル酸エチル3-フェニル-2-プロピン酸エチルベンゼンプロピン酸エチル3-フェニルプロピン酸エチル3-フェニルプロパルギル酸エチルフェニルプロピオル酸エチルフェニルプロパルギル酸エチル3-フェニル-2-プロピオ酸エチルエステル3-フェニルプロピオール酸エチルフェニルプロピオル酸エチル, 98+%エチル 3-フェニルプロパ-2-イノアート3-フェニル-2-プロピン-1-酸エチル3-フェニルプロパン-2-イン酸エチル2-フェニルアセチレンカルボン酸エチルphenylpropynoic acid ethyl esterTIMTEC-BB SBB008827RARECHEM AL BI 0668ethylphenylpropynoateethyl3-phenylpropynoate
ETHYL 3-PHENYLPROPARGYLATERefChem:596796DTXCID6036627Ethyl 3-phenylprop-2-ynoateEthyl 3-phenylpropynoateEthyl phenylpropriolatePhenylpropiolic Acid Ethyl EsterMFCD00009185

データベース識別子

CAS
2216-94-6
PubChem CID
91516
DTXSID
DTXSID9074858
ChEMBL
CHEMBL1992423
UNII
09CYB3Z9MR
EC Number
218-703-8
Nikkaji
J1.803A

物性

構造計算による物性

XLogP
2.7
極性表面積
26.3 Ų
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
13

実験および物理化学的性質

SpringerMaterials PropertiesDensity
Density1.055 at 77 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 75 °F (NTP, 1992)
Flash Point235 °F (NTP, 1992)
Boiling Point500 to 518 °F at 760 mmHg (decomposes) (NTP, 1992)
Physical DescriptionEthyl phenylpropiolate is a clear pale yellow liquid. (NTP, 1992)

物理化学的性質

融点
149 · 149-150 °C
沸点
260 · 260-270 °C(lit.)
比重(密度)
1.055 g/mL · 1.055 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.552(lit.)
闪点
110 °C · >110°C
貯蔵温度
2 · 2-8°C

化学的性質

化学的特性clear yellowish 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)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information2-Propynoic acid, 3-phenyl-, ethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Fire HazardsThis compound is combustible. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile · 1 件

Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全と保護具

Fire FightingFires involving this compound can be controlled with dry chemical, carbon dioxide or Halon extinguishers. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

安全データ

wgk
3
rtecs
UE0110000
hs_code
29163990
risk_code
36/38
消防法
危-4-3-III
safety_code
24/25

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用Ethyl phenylpropiolate, is an important organic intermediate. It is also used as an intermediate in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

一般的な説明Clear pale yellow liquid.

サプライヤー93 社

上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

関連反応

32 件

化合物ノート

読み込み中…