基本情報
- 標準SMILES
CCOCC(=O)O- InChIKey
YZGQDNOIGFBYKF-UHFFFAOYSA-N- 分子式
- C4H8O3
- 平均分子量
- 104.1 g/mol
- 単同位体質量
- 104.04734412
概要
Ethoxyacetic acid is a liquid. (NTP, 1992)
名称と識別子
- 優先名称
- Ethoxyacetic acid
- IUPAC
- 2-ethoxyacetic acid
- 現地名
- エトキシ酢酸
- 英語名
- Ethoxyacetic acid
- 分子式
- C4H8O3
- 分子量
- 104.1
名称と別名
名称をさらに表示
データベース識別子
- CAS
627-03-2- PubChem CID
- 12301
- DTXSID
DTXSID7031294- ChEMBL
CHEMBL1159929- ChEBI
CHEBI:173365- UNII
- 467VW095BX
- EC Number
- 210-978-2
- Nikkaji
- J1.694B
物性
構造計算による物性
- XLogP
- 0
- 極性表面積
- 46.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 60
実験および物理化学的性質
Physical Description
Ethoxyacetic acid is a liquid. (NTP, 1992)
Liquid; [CAMEO]
物理化学的性質
- 沸点
- 97 · 97-100 °C/11 mmHg (lit.)
- 比重(密度)
- 1.102 g/mL · 1.102 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.419(lit.)
- 闪点
- 208 °F · 208 °F
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- Chloroform (Slightly), Methanol (Slightly)
- 外見
- 液体
- 酸解離定数(Pka)
- 3.65 · 3.65(at 18℃)
- 色
- 無色透明~薄黄色
- 水溶解度
- 溶ける
- BRN
- 1743037 · 1743037
- 安定性
- 安定。可燃性。強力な酸化剤とは相容れない。
- InChI
- 1S/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)
- InChIKey
- YZGQDNOIGFBYKF-UHFFFAOYSA-N
- SMILES
- CCOCC(O)=O
- CAS データベース
- 627 · 627-03-2(CAS DataBase Reference)
- NISTの化学物質情報
- Acetic acid, ethoxy-(627-03-2)
- EPAの化学物質情報
- Ethoxyacetic acid (627-03-2)
化学的性質
化学的特性liquid
安全と法規制
GHS分類
GHS Classification
Danger
H314 (65.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 73 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Acetic acid, ethoxy-
Ethoxyacetic acid: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
An ether and organic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat.
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, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a 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.
毒性情報
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AH3600000
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29189900
- risk_code
- 34
- 化審法
- (2)-3131
- 消防法
- 危-4-3-III
- hazard_code
- C,Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- ストレージクラス
- 8A - Combustible corrosive hazardous materials
化学と産業
薬理情報
用途と製造
応用分野
使用Ethoxyacetic acid is used to evaluate toxicity in embryonic stem cell test in mice. It finds application as a biomarker of exposure to alkyl-substituted ethylene glycols and other aliphatic ethers. It is used as a precursor to prepare ethoxy-acetic acid ethoxymethyl ester.
一般的な説明Liquid.
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