메틸2-(3-옥소사이클로부틸)아세테이트

Methyl 2-(3-oxocyclobutyl)acetate

HCID 57686718

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1148130-30-6
표준 SMILES: COC(=O)CC1CC(=O)C1
InChIKey: UJPOOJZMVQMLOM-UHFFFAOYSA-N
분자식: C7H10O3
평균 분자량: 142.15 g/mol
단동위원소 질량: 142.06299418

이름 및 식별자

우선 이름: Methyl 2-(3-oxocyclobutyl)acetate
IUPAC: methyl 2-(3-oxocyclobutyl)acetate
현지명: 메틸2-(3-옥소사이클로부틸)아세테이트
영어명: Methyl 2-(3-oxocyclobutyl)acetate
분자식: C7H10O3
분자량: 142.15

이름 및 동의어

Methyl 2-(3-oxocyclobutyl)acetateRefChem:813409839-571-31148130-30-6MFCD20134006Methyl2-(3-oxocyclobutyl)acetateMethyl 2-(3-oxocyclobutyl);acetateCyclobutaneacetic acid, 3-oxo-, methyl esterSCHEMBL756256Methyl (3-oxocyclobutyl)acetateDTXSID50727518AKOS016009289

이름 더 보기

메틸2-(3-옥소사이클로부틸)아세테이트ethyl 2-(3-oxocyclobutyl)acetateMethyl 2-(3-oxocyclobutyl)

CS-W006735PB39657AS-42400DA-33220SY043160(3-oxo-cyclobutyl)-acetic acid methyl esterEN300-127013F237792

데이터베이스 식별자

CAS: 1148130-30-6
PubChem CID: 57686718
DTXSID: DTXSID50727518
EC Number: 839-571-3

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 154

물리화학적 성질

끓는 점: 205.7 · 205.7±13.0 °C(Predicted)
밀도: 1.136 · 1.136±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
InChI: InChI=1S/C7H10O3/c1-10-7(9)4-5-2-6(8)3-5/h5H,2-4H2,1H3
InChIKey: UJPOOJZMVQMLOM-UHFFFAOYSA-N
SMILES: C1(CC(OC)=O)CC(=O)C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.