4-エトキシ安息香酸

4-Ethoxybenzoic acid

HCID 12093CAS 619-86-3
部分構造検索類似構造を探す

基本情報

標準SMILES
CCOc1ccc(C(=O)O)cc1
InChIKey
SHSGDXCJYVZFTP-UHFFFAOYSA-N
分子式
C9H10O3
平均分子量
166.17 g/mol
単同位体質量
166.06299418

名称と識別子

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

名称と別名

4-ETHOXYBENZOIC ACIDp-Ethoxybenzoic acidBenzoic acid, 4-ethoxy-Benzoic acid, p-ethoxy-UNII-TZR23XEQ7WTZR23XEQ7Wpara-Ethoxybenzoic acidNSC 8705NSC-8705EINECS 210-616-3AI3-20152DTXSID2060709
名称をさらに表示
4-エトキシ安息香酸p-エトキシ安息香酸4エトキシ安息香酸4-エトキシ安息香酸, 99%NSC8705ACS 0393AKOS BBB/248AKOS BBS-00003741P-CARBOXYPHENETOLEthoxybenzoic aciRARECHEM AL BO 0060
4-ethoxybenzoate4-Ethoxy-benzoateRefChem:98837Benzoic acid, p-ethoxy-(8CI)DTXCID5043182210-616-3InChI=1/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11SHSGDXCJYVZFTP-UHFFFAOYSA-N

データベース識別子

CAS
619-86-3
PubChem CID
12093
DTXSID
DTXSID2060709
ChEMBL
CHEMBL324769
UNII
TZR23XEQ7W
EC Number
210-616-3
Nikkaji
J26.915H

物性

構造計算による物性

XLogP
2.4
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
12

物理化学的性質

融点
197 · 197-199 °C(lit.)
沸点
254.38 °C · 254.38°C (rough estimate)
比重(密度)
1.1708 · 1.1708 (rough estimate)
蒸気圧
0.071 Pa · 0.071Pa at 25℃
屈折率
1.55 · 1.5500 (estimate)
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性White to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 46 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 · 2 件

Chemical: Benzoic acid, 4-ethoxy-

Status: Cease Manufacture Update: 12-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20099

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (95.7%)

法規制情報

Regulatory Information · 2 件

Chemical: Benzoic acid, 4-ethoxy-

Status: Cease Manufacture Update: 12-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20099

安全データ

wgk
3
tsca
TSCA listed
hs_code
29189900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39-24/25-25-24

化学と産業

用途と製造

General Manufacturing InformationBenzoic acid, 4-ethoxy-: INACTIVE

応用分野

用途有機合成原料。

使用4-Ethoxybenzoic acid was used to prepare highly conducting and flexible few-walled carbon nanotube thin films.

上流・下流製品情報

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]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

関連反応

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