CAS 58012-34-3 Ethyl 2-(4-oxocyclohexyl)acetate (HCID 12666966)

기본 정보

CAS: 58012-34-3
표준 SMILES: CCOC(=O)CC1CCC(=O)CC1
InChIKey: XHNJFNLTFMAPQB-UHFFFAOYSA-N
분자식: C10H16O3
평균 분자량: 184.23 g/mol
단동위원소 질량: 184.10994437

이름 및 식별자

우선 이름: Ethyl 2-(4-oxocyclohexyl)acetate
IUPAC: ethyl 2-(4-oxocyclohexyl)acetate
현지명: 에틸4-옥소사이클로헥산아세테이트
영어명: ethyl 4-oxocyclohexaneacetate
분자식: C10H16O3
분자량: 184.23

이름 및 동의어

Ethyl 2-(4-oxocyclohexyl)acetateRefChem:593891805-162-358012-34-3ethyl 4-oxocyclohexaneacetate4-oxocyclohexaneacetic acid ethyl esterMFCD11045783(4-oxo-cyclohexyl)-acetic acid ethyl esterEthyl (4-oxocyclohex-1-yl)acetateethyl (4-oxocyclohexyl)acetateCyclohexaneacetic acid, 4-oxo-, ethyl esterEthyl2-(4-oxocyclohexyl)acetate

이름 더 보기

에틸4-옥소사이클로헥산아세테이트Ethyl (4-oxocyclohex-1-yl)acetate 95%2-(4-Oxocyclohexyl)acetic Acid Ethyl EsterEthyl 2-(4-Oxocyclohexyl)Acetate(WXC03040)4-oxo-Cyclohexaneacetic acid ethyl ester (6CI 9CI ACI)

Ethyl 4-oxocyclohexylacetateethyl-4-oxocyclohexaneacetateSCHEMBL2257497DTXSID90506223ethyl 4-oxocyclohexaneacetate-26XHNJFNLTFMAPQB-UHFFFAOYSA-NCS-M3542AKOS006307852

데이터베이스 식별자

CAS: 58012-34-3
PubChem CID: 12666966
DTXSID: DTXSID90506223
EC Number: 805-162-3
Nikkaji: J3.662.841C

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 188

물리화학적 성질

끓는 점: 266 ℃ · 266℃
밀도: 1.04 · 1.040
굴절률: 1.45 · 1.45
인화점: 112 ℃ · 112℃
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
InChI: InChI=1S/C10H16O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h8H,2-7H2,1H3
InChIKey: XHNJFNLTFMAPQB-UHFFFAOYSA-N
SMILES: C1(CC(OCC)=O)CCC(=O)CC1

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)

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