2-[2-(벤조일옥시)에톡시]에탄올

Diethylene glycol monobenzoate

HCID 88603

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 20587-61-5
표준 SMILES: O=C(OCCOCCO)c1ccccc1
InChIKey: DNUPYEDSAQDUSO-UHFFFAOYSA-N
분자식: C11H14O4
평균 분자량: 210.23 g/mol
단동위원소 질량: 210.08920893

개요

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

이름 및 식별자

우선 이름: Diethylene glycol monobenzoate
IUPAC: 2-(2-hydroxyethoxy)ethyl benzoate
현지명: 2-[2-(벤조일옥시)에톡시]에탄올
영어명: 2-(2-hydroxyethoxy)ethyl benzoate
분자식: C11H14O4
분자량: 210.23

이름 및 동의어

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

이름 더 보기

2-[2-(벤조일옥시)에톡시]에탄올2-(2-하이드록시에톡시)에틸벤조에이트2-[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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 15
형식 전하: 0
복잡도: 175

실험 및 물리화학적 성질

Food Contact Substances · 2건

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

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

Physical DescriptionLiquid

물리화학적 성질

끓는 점: 127 · 127-130 °C(Press: 5 Torr)
밀도: 1.1715 g/cm3 · 1.1715 g/cm3
산도 계수 (pKa): 14.34 · 14.34±0.10(Predicted)
EPA: 2 · Ethanol, 2-[2-(benzoyloxy)ethoxy]- (20587-61-5)

안전 및 규제

GHS 분류

GHS Classification · 3건

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.

유해성 정보

Regulatory Information · 3건

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