2-((Acetyloxy)methoxy)ethyl acetate

HCID 100999

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 59278-00-1
표준 SMILES: CC(=O)OCCOCOC(C)=O
InChIKey: XFEQOLXBMLXKDE-UHFFFAOYSA-N
분자식: C7H12O5
평균 분자량: 176.17 g/mol
단동위원소 질량: 176.06847348

이름 및 식별자

우선 이름: 2-((Acetyloxy)methoxy)ethyl acetate
IUPAC: 2-(acetyloxymethoxy)ethyl acetate
영어명: 2-[(Acetyloxy)methoxy]ethyl acetate
분자식: C7H12O5
분자량: 176.17

이름 및 동의어

59278-00-12-[(Acetyloxy)methoxy]ethyl acetate2-((Acetyloxy)methoxy)ethyl acetateDTXSID40207995EINECS 261-686-7RefChem:449782DTXCID90130486261-686-7(2-acetoxyethoxy)methyl acetate2-Oxa-1,4-Butanediol Diacetate1,4-diacetoxy-2-oxabutane2-(acetyloxymethoxy)ethyl acetate

이름 더 보기

Acyclovirsidechain2-[(Acetyloxy)methoxAciclovir Impurity 38Acyclovir lateral chainValacyclovir Impurity 23Acecloguanosine lateral chain2-Oxo-1,4-Butanediol Diacetate

(2-Acetoxyethoxy)methylacetateMFCD09031327[2-(ACETYLOXY)ETHOXY]METHYL ACETATE2-Acetoxyethyl acetoxymethyl ether67429-12-31-acetoxy-2-acetoxymethoxyethaneAKOS006290330AS-12667

데이터베이스 식별자

CAS: 59278-00-1
PubChem CID: 100999
DTXSID: DTXSID40207995
EC Number: 261-686-7
Nikkaji: J308.655K

물성

구조 계산 물성

XLogP: 0
극성 표면적: 61.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 12
형식 전하: 0
복잡도: 154

물리화학적 성질

끓는 점: 114 · 114-1180C/4Torr
밀도: 1.1382 g/cm3 · 1.1382 g/cm3
굴절률: 1.421 to · 1.4210 to 1.4250
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
안정성: 40 C · 40C 이하
InChI: InChI=1S/C7H12O5/c1-6(8)11-4-3-10-5-12-7(2)9/h3-5H2,1-2H3
InChIKey: XFEQOLXBMLXKDE-UHFFFAOYSA-N
SMILES: C(OC(=O)C)COCOC(C)=O

화학적 성질

Bright Yellow Liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.