(4-옥소-사이클로헥실)-아세트산메틸에스테르

Methyl 2-(4-oxocyclohexyl)acetate

HCID 21249113

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 66405-41-2
표준 SMILES: COC(=O)CC1CCC(=O)CC1
InChIKey: AEZHUDXZHNLVKG-UHFFFAOYSA-N
분자식: C9H14O3
평균 분자량: 170.21 g/mol
단동위원소 질량: 170.09429431

이름 및 식별자

우선 이름: Methyl 2-(4-oxocyclohexyl)acetate
IUPAC: methyl 2-(4-oxocyclohexyl)acetate
현지명: (4-옥소-사이클로헥실)-아세트산메틸에스테르
영어명: (4-Oxo-cyclohexyl)-acetic acid methyl ester
분자식: C9H14O3
분자량: 170.21

이름 및 동의어

methyl 2-(4-oxocyclohexyl)acetateRefChem:813528887-565-466405-41-2Methyl (4-oxocyclohexyl)acetate(4-OXO-CYCLOHEXYL)-ACETIC ACID METHYL ESTERMFCD09031995SCHEMBL337416Cyclohexaneacetic acid, 4-oxo-, methyl esterDTXSID9061160966405-41-2, Methyl (4-oxocyclohexyl)acetate, (4-OXO-CYCLOHEXYL)-ACETIC ACID METHYL ESTER, AG-G-50613, SureCN337416, CTK5C4624, MolPort-005-939-268, methyl 2-(4-oxocyclohexyl)acetate, ANW-72277, ZINC21994757, AKOS006291097, AK-44997, KB-86679methyl2-(4-oxocyclohexyl)acetate

이름 더 보기

(4-옥소-사이클로헥실)-아세트산메틸에스테르(4-OXOCYCLOHEXYL)ACETIC ACIDMETHYL 2 -(4-OXOCYCLOHEXYL)-ACETATE 97%

AEZHUDXZHNLVKG-UHFFFAOYSA-NAB97744-(methoxycarbonylmethyl)cyclohexanoneAKOS006291097CS-W006286SB38200DS-13456SY102798

데이터베이스 식별자

CAS: 66405-41-2
PubChem CID: 21249113
DTXSID: DTXSID90611609
EC Number: 887-565-4
Nikkaji: J3.389.774J

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 176

물리화학적 성질

저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.