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エトキシ酢酸

Ethoxyacetic acid

HCID 12301
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
627-03-2
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

ETHOXYACETIC ACID2-Ethoxyacetic acid627-03-2Ethoxy acetic acidAcetic acid, 2-ethoxy-DTXSID7031294467VW095BXNSC-6750DTXCID5011294RefChem:138423210-978-2Acetic acid, ethoxy-
名称をさらに表示
エトキシ酢酸グリコール酸エチルエーテル2-エトキシ酢酸エトキシアセチックアシドEthoxyacetic2-ethoxyacetateethoxy-aceticaciEthylglycolicacidEthoxyethanoicacidAceticacid,ethoxy-2-ethoxyaceticacidethyloglycolic acid
O-Ethylglycolic acidethoxy-acetic acidMFCD000043102-ethoxy-acetic acidCAS-627-03-2CCRIS 7194NSC 6750EINECS 210-978-2

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補完中

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

Chemical ClassesOther Classes -> Other Organic Compounds
SpringerMaterials PropertiesBoiling point
Density1.1021 at 68 °F (NTP, 1992) - Denser than water; will sink
SolubilitySoluble (NTP, 1992)
Flash Point208 °F (NTP, 1992)
Boiling Point403 to 405 °F at 760 mmHg (NTP, 1992)
Physical Description · 2 件

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)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

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 · 2 件

Chemical: Acetic acid, ethoxy-

Ethoxyacetic acid: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
DOT LabelCorrosive
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound is corrosive. (NTP, 1992)
Hazards SummaryCorrosive to skin and eyes; [eChemPortal: ERMA] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
Reactive GroupAcids, Carboxylic
Reactivity Profile · 1 件

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.

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

General Manufacturing InformationAcetic acid, 2-ethoxy-: ACTIVE
応用分野 · 2 件

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.

上流・下流製品情報

上流原料

Sodium ethylate solution,in ethyl alcoholEthoxyacetaldehydeMagnesium, chloro(ethoxymethyl)-NISTC517709802-ethoxyacetonitrileナトリウムエトキシド2-エトキシエタノールエタノール炭素ジオンブロモ酢酸

関連反応

118 件
反応記録を作成
HRID 10011 の反応式
HRID 10011反応物としてuspto-grants-2006_08
HRID 20279 の反応式
HRID 20279反応物としてuspto-grants-2010_06
HRID 35377 の反応式
HRID 35377反応物としてuspto-grants-1988_08
HRID 48268 の反応式
HRID 48268溶媒としてuspto-grants-2004_03
HRID 120898 の反応式
HRID 120898反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 143526 の反応式
HRID 143526反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 149768 の反応式
HRID 149768反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 177611 の反応式
HRID 177611反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
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化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
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

Air and Water ReactionsWater soluble.
Hazard Classes and CategoriesSkin Corr. 1C (65.8%)

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (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, 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.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

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
クロロメチルエチルエーテル
クロロ酢酸ナトリウム

下流製品

セチリジンエトキシ酢酸エチルエトキシヒドロキシ酢酸エチルジエチルエーテル (無水)