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
名称をさらに表示
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
- 形式電荷
- 0
- 複雑度
- 225
実験および物理化学的性質
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
- 外見
- 液体
- 比重
- 1.055 · 1.055
- 色
- クリアイエロー
- 水溶解度
- 水に不溶。
- BRN
- 639637 · 639637
- InChI
- 1S/C11H10O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2H2,1H3
- InChIKey
- ACJOYTKWHPEIHW-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C#Cc1ccccc1
- CAS データベース
- 2216 · 2216-94-6(CAS DataBase Reference)
- EPAの化学物質情報
- Ethyl phenylpropiolate (2216-94-6)
化学的性質
化学的特性clear yellowish liquid
安全と法規制
GHS分類
GHS Classification
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
Reactivity Profile
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.
安全と保護具
First Aid
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
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)
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
- ストレージクラス
- 10 - Combustible liquids
化学と産業
応用分野
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.
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