安息香酸2-(2-ヒドロキシエトキシ)エチル

Diethylene glycol monobenzoate

HCID 88603

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 20587-61-5
標準SMILES: O=C(OCCOCCO)c1ccccc1
InChIKey: DNUPYEDSAQDUSO-UHFFFAOYSA-N
分子式: C11H14O4
平均分子量: 210.23 g/mol
単同位体質量: 210.08920893

概要

diethylene glycol monobenzoate has been reported in Santalum album with data available.

名称と識別子

優先名称: Diethylene glycol monobenzoate
IUPAC: 2-(2-hydroxyethoxy)ethyl benzoate
現地名: 安息香酸2-(2-ヒドロキシエトキシ)エチル
英語名: 2-(2-hydroxyethoxy)ethyl benzoate
分子式: C11H14O4
分子量: 210.23

名称と別名

2-(2-Hydroxyethoxy)ethyl benzoate20587-61-5Diethylene glycol monobenzoateEthanol, 2-[2-(benzoyloxy)ethoxy]-Diethylene glycol benzoateEthanol, 2-(2-(benzoyloxy)ethoxy)-Ethanol, 2,2'-oxybis-, monobenzoateEINECS 243-895-5NSC 71576U8NT2B98P1AI3-13034NSC-71576

名称をさらに表示

安息香酸2-(2-ヒドロキシエトキシ)エチル安息香酸5-ヒドロキシ-3-オキサペンタン-1-イル2-［2-（ベンゾイルオキシ）エトキシ］-エタノール2-(2-ヒドロキシエトキシ)エチルベンゾアート3-オキサ-1,5-ペンタンジオール1-ベンゾアート2-[2-(benzoyloxy)ethoxy]-EthanolBenzoic acid 2-(2-hydroxyethoxy)ethyl ester

DTXSID6041921RefChem:587373DTXCID4021921Ethanol, 2-2-(benzoyloxy)ethoxy-243-895-5MFCD189677612-?(2-?Hydroxyethoxy)?ethyl BenzoateDiethylene glycol, monobenzoate

データベース識別子

CAS: 20587-61-5
PubChem CID: 88603
DTXSID: DTXSID6041921
UNII: U8NT2B98P1
EC Number: 243-895-5
Nikkaji: J48.627B

物性

構造計算による物性

XLogP: 1.2
極性表面積: 55.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 7
重原子数: 15
形式電荷: 0
複雑度: 175

実験および物理化学的性質

Food Contact Substances · 2 件

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Physical DescriptionLiquid

物理化学的性質

沸点: 127 · 127-130 °C(Press: 5 Torr)
比重(密度): 1.1715 g/cm3 · 1.1715 g/cm3
酸解離定数(Pka): 14.34 · 14.34±0.10(Predicted)
EPAの化学物質情報: 2 · Ethanol, 2-[2-(benzoyloxy)ethoxy]- (20587-61-5)

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (100 of 100) of all reports.

Not Classified

Aggregated GHS information provided per 100 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Ethanol, 2-[2-(benzoyloxy)ethoxy]-

Ethanol, 2-[2-(benzoyloxy)ethoxy]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-[2-(benzoyloxy)ethoxy]- 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)

Ethanol, 2-2-(benzoyloxy)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 CategoriesNot Classified