Methoxyacetic Acid (HCID 12251)

概要

Methoxyacetic acid is a colorless liquid. (NTP, 1992)

名称と識別子

優先名称: Methoxyacetic Acid
IUPAC: 2-methoxyacetic acid
現地名: メトキシ酢酸
英語名: Methoxyacetic acid
分子式: C3H6O3
分子量: 90.08

名称と別名

METHOXYACETIC ACID2-Methoxyacetic acid625-45-6Acetic acid, methoxy-Methoxyethanoic acidAcetic acid, 2-methoxy-DTXSID1031591F11T1H7Q7WNSC-7300DTXCID9011591CHEBI:132098RefChem:157058

名称をさらに表示

メトキシ酢酸2-メトキシ酢酸Methoxyacetic2-methoxyaceticMethoxyessigsuremethoxy-aceticaciMethoxyactic acidMethylglycolicacid

210-894-6CH3OCH2COOHmethoxy-acetic acidMFCD00004308CAS-625-45-62-MethoxyaceticAcidCCRIS 6518Iopromide Impurity 45

データベース識別子

CAS: 625-45-6
PubChem CID: 12251
DTXSID: DTXSID1031591
ChEMBL: CHEMBL1697714
ChEBI: CHEBI:132098
UNII: F11T1H7Q7W
EC Number: 210-894-6
Nikkaji: J502I

物性

構造計算による物性

XLogP: -0.3
極性表面積: 46.5 Å²
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: 2
重原子数: 6
形式電荷: 0
複雑度: 50

実験および物理化学的性質

Chemical Classes · 2 件

Other Classes -> Organic Acids

Industrial compound

SpringerMaterials PropertiesBoiling point

Density1.177 at 68 °F (NTP, 1992) - Denser than water; will sink

Solubility · 2 件

greater than or equal to 100 mg/mL at 66 °F (NTP, 1992)

1000 mg/mL at 20 °C

Flash Point · 2 件

greater than 235 °F (NTP, 1992)

Flash Point > 235 °F

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

融点: 7 · 7-9 °C (lit.)
沸点: 202 · 202-204 °C (lit.)
比重(密度): 1.174 g/mL · 1.174 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.417(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: Chloroform, Methanol (Slightly); Soluble in water, alcohol and oils.
外見: 液体
酸解離定数(Pka): 1 · pK1:3.57 (25°C)
色: 無色透明～ごくわずかに黄色
PH: 1.6 · 1.6 (100g/l, H2O)
臭い (Odor): Peculiar fatty vinegear-like odor, in dilution fairly pleasant.
水溶解度: 溶けやすい
BRN: 635800 · 635800
Henry's Law Constant: 1.5 · 1.5×103 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
InChI: 1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
InChIKey: RMIODHQZRUFFFF-UHFFFAOYSA-N
SMILES: COCC(O)=O
LogP: -0.68 · -0.68
CAS データベース: 625 · 625-45-6(CAS DataBase Reference)
NISTの化学物質情報: Acetic acid, methoxy-(625-45-6)
EPAの化学物質情報: Methoxyacetic acid (625-45-6)

化学的性質

化学的特性CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 6 件

Chemical: Acetic acid, methoxy-

Hazard Traits - Reproductive Toxicity

Acetic acid, 2-methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-methoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 12-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/2127

Substance: Methoxyacetic acid

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

Other Safety InformationIMAP assessments - Acetic acid, methoxy-: Human health tier II assessment

DOT LabelCorrosive

Fire HazardsThis chemical is combustible. (NTP, 1992)

Health HazardsACUTE/CHRONIC HAZARDS: This compound is corrosive. (NTP, 1992)

Hazards SummaryMay cause burns; [eChemPortal: ESIS] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]

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.

Exposure Control and Personal Protection1.0 [ppm]

Nonfire Spill ResponseSTORAGE PRECAUTIONS: You should store this chemical under refrigerated temperatures, and protect it from moisture. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)

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

F: 10-21
wgk: 1
tsca: TSCA listed
rtecs: AI8650000
ridadr: UN 3265 8/PG 2
hs_code: 29189090
risk_code: 60-61-22-34
化審法: (2)-3484
消防法: 危-4-3-III
hazard_code: T
safety_code: 53-45
hazard_class: 8
packing_group: II
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Repr. 1BSkin Corr. 1BSTOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.

用途と製造

UsesUsed in organic synthesis; [Hawley]

U.S. Production2023: 1,000,000 - <8,500,000 lb

Industry UsesOther

Household ProductsInformation on 3 consumer products that contain Methoxyacetic acid in the following categories is provided:

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Acetic acid, 2-methoxy-: ACTIVE

応用分野 · 5 件

用途有機合成原料。

用途農薬・防疫薬の中間体、消毒剤、限外濾過膜や逆浸透用洗浄剤、床/壁/地域の工業用の洗剤剤、ホイール・タイヤ洗浄剤、pH調整剤、防錆製品、モーター燃料

用途CATALYST

使用Methoxyacetic acid is used in zebrafish embryotoxicity test to evaluate chemical toxicity after exposure of the complete vertebrate embryo during embryogenesis. It is also used in industry as gelling, viscosity and stabilizer reagent.

一般的な説明Colorless liquid.

調製方法

純化方法Fractionally crystallise the acid by repeated partial freezing, then fractionally distil it under vacuum through a vacuum-jacketed Vigreux column ~20cm long (p 11). [Beilstein 3 IV 574.]

上流・下流製品情報

下流製品

メトキシアセチルクロリド rac-(R*)-2-[N-(2,6-ジメチルフェニル)-N-(メトキシアセチル)アミノ]プロピオン酸メチルグリオキシル酸二(メトキシ酢酸)無水物 2-メトキシプロパン酸メトキシメチル(ジフェニル)ホスフィンオキシド 4,4'-ジ-T-ブチルジフェニルメタン 2,2,2-トリフルオロエチルメチルエーテルメタノール butyl 2-methoxyacetate N-(4-ブロモフェニル)-2-メトキシアセトアミド

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補足説明

定義ChEBI: A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a methoxy group.

メトキシ酢酸

基本情報

概要