2-Ethoxybenzoic acid (HCID 67252)

名称と識別子

優先名称: 2-Ethoxybenzoic acid
IUPAC: 2-ethoxybenzoic acid
現地名: 2-エトキシ安息香酸
英語名: 2-Ethoxybenzoic acid
分子式: C9H10O3
分子量: 166.17

名称と別名

2-Ethoxybenzoic acid134-11-2o-Ethoxybenzoic acidBenzoic acid, 2-ethoxy-Benzoic acid, o-ethoxy-5IN9FDI7TTortho-Ethoxybenzoic acidNSC-406710DTXSID3059638RefChem:86834DTXCID2034176205-130-3

名称をさらに表示

2-エトキシ安息香酸o-エトキシ安息香酸2‐エトキシ安息香酸AKOS BBB/2512-Ethoxybenzoic2-ethoxybenzoate2-Ethromycin acidRARECHEM AL BO 00302-ethoxy-benzoicaci2'-CarboxyphenetoleEugenol Impurity 19

MFCD00002438Benzoic acid, ethoxy-Ethoxybenzoic acid2-Ethoxybenzoic Acid; NSC 406710; o-Ethoxybenzoic Acid2-EthoxybenzoicacidEINECS 205-130-32-ethoxybenzoic-acidNSC 406710

データベース識別子

CAS: 134-11-2
PubChem CID: 67252
DTXSID: DTXSID3059638
ChEMBL: CHEMBL4303266
UNII: 5IN9FDI7TT
EC Number: 205-130-3
Nikkaji: J134.740C

物性

構造計算による物性

XLogP: 2
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: 3
重原子数: 12
形式電荷: 0
複雑度: 156

物理化学的性質

融点: 19.3 · 19.3-19.5 °C (lit.)
沸点: 174 · 174-176 °C/15 mmHg (lit.)
比重(密度): 1.105 g/mL · 1.105 g/mL at 25 °C (lit.)
蒸気圧: 0.281 Pa · 0.281Pa at 25℃
屈折率: 20 · n20/D 1.54(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: 95 % · 95% エタノール: 可溶5%、透明、無色～黄色
外見: 液体
酸解離定数(Pka): 1 · pK1:4.21 (20°C)
比重: 1.105 · 1.105
色: White or Colorless to Light yellow to Light orange
水溶解度: 水に溶ける。
BRN: 2691039 · 2691039
InChI: 1S/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChIKey: XDZMPRGFOOFSBL-UHFFFAOYSA-N
SMILES: CCOc1ccccc1C(O)=O
LogP: 1.295 at · 1.295 at 25℃
CAS データベース: 134 · 134-11-2(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzoic acid, 2-ethoxy-(134-11-2)
EPAの化学物質情報: 2 · Benzoic acid, 2-ethoxy- (134-11-2)

化学的性質

化学的特性Pale yellow low melting solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (78.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (42.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzoic acid, 2-ethoxy-

Status: Active Update: 13-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18884；Status: Active Update: 19-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32828

Benzoic acid, 2-ethoxy-: 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.

Hazard Classes and CategoriesAcute Tox. 4 (28.6%)；Skin Irrit. 2 (78.6%)；Eye Irrit. 2A (100%)；STOT SE 3 (42.9%)

法規制情報

Regulatory Information · 3 件

Chemical: Benzoic acid, 2-ethoxy-

Status: Active Update: 13-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18884；Status: Active Update: 19-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32828

Benzoic acid, 2-ethoxy-: 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.

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29189900
risk_code: 36/37/38-26-22
消防法: 危-4-3-III
hazard_code: Xi,T
safety_code: 23-24/25-45-36/37-28-26
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing InformationBenzoic acid, 2-ethoxy-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用2-Ethoxybenzoic acid is used in thermally induced solvent-free reactions of triphenylbismuth with a series of thiols and carboxylic acids. It serves as an active component of dental cement. Further, it prevents the entry of root-canal pathogens into periapical regions.

一般的な説明2-Ethoxybenzoic acid is dental cement. It is root-end filling material and prevents the entry of root-canal pathogens into periapical regions.

上流・下流製品情報

上流原料

2-ヒドロキシ安息香酸アンモニア水ベンジルトリエチルアンモニウムクロリドナトリウムジエチルエーテル (無水)塩酸ジクロロメタンメタノール水酸化ナトリウム安息香酸メチル 2-エトキシ安息香酸メチルサリチル酸メチル

下流製品

2-エトキシベンゾイルクロリド

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

2-エトキシ安息香酸

基本情報