Ethyl 2-oxocyclohexanecarboxylate (HCID 95543)

이름 및 식별자

우선 이름: Ethyl 2-oxocyclohexanecarboxylate
IUPAC: ethyl 2-oxocyclohexane-1-carboxylate
영어명: Ethyl 2-oxocyclohexanecarboxylate
분자식: C9H14O3
분자량: 170.21

이름 및 동의어

Ethyl 2-oxocyclohexanecarboxylateCyclohexanecarboxylic acid, 2-oxo-, ethyl ester2-CarbethoxycyclohexanoneEthyl 2-cyclohexanonecarboxylateEthyl cyclohexanone-2-carboxylate2-(Ethoxycarbonyl)cyclohexanone2-Cyclohexanonecarboxylic acid ethyl ester2-Oxocyclohexanecarboxylic acid ethyl esterEthyl 1-oxo-2-cyclohexanecarboxylateEthyl 2-oxo-1-cyclohexanecarboxylateEthyl 2-oxocylohexanecarboxylateEthyl 2-oxylcyclohexanecarboxylic

이름 더 보기

Ethyl-2-oxocyclohexanonecarboxylateAKOS 91391AKOS MSC-0386ohexanonecarboxyLEthyl 2-cyclohexanonResatorvid Impurity 5LABOTEST-BB LT00159541Ethyl cylcohexanecarboxylate

2-Carbethoxy cyclohexanoneUNII-8V73BMH08ZNSC 187448V73BMH08ZEthyl 2-cyclohexanone-1-carboxylateEINECS 216-731-5NSC-18744AI3-04506

데이터베이스 식별자

CAS: 1655-07-8
PubChem CID: 95543
DTXSID: DTXSID70883706
UNII: 8V73BMH08Z
EC Number: 216-731-5
Nikkaji: J40.677E

물성

구조 계산 물성

XLogP: 1.4
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: 186

물리화학적 성질

녹는점: 101 °C · 101 °C
끓는 점: 106 °C/11 · 106 °C/11 mmHg (lit.)
밀도: 1.064 g/mL · 1.064 g/mL at 25 °C (lit.)
증기압: 8.7 Pa · 8.7Pa at 25℃
굴절률: 20 · n20/D 1.477(lit.)
인화점: 185 °F · 185 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(소량으로 용해), 메탄올(소량으로 용해)
산도 계수 (pKa): 12.06 · 12.06±0.20(Predicted)
물리적 상태: 기름
색상: 무색
수용성: 물에 용해됩니다.
BRN: 608356 · 608356
InChI: 1S/C9H14O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7H,2-6H2,1H3
InChIKey: FGSGHBPKHFDJOP-UHFFFAOYSA-N
SMILES: CCOC(=O)C1CCCCC1=O
LogP: 1.08 · 1.08
NIST: 2 · Cyclohexanecarboxylic acid, 2-oxo-, ethyl ester(1655-07-8)
EPA: 2 · Cyclohexanecarboxylic acid, 2-oxo-, ethyl ester (1655-07-8)

화학적 성질

Clear colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.3% (3 of 9) of reports.

Warning

H315 (66.7%): 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 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Cyclohexanecarboxylic acid, 2-oxo-, ethyl ester

Status: Active Update: 19-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11699

Cyclohexanecarboxylic acid, 2-oxo-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29183000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 23-24/25-37/39-26-36
위험 등급: IRRITANT
기존화학 물질: KE-13998
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationCyclohexanecarboxylic acid, 2-oxo-, ethyl ester: ACTIVE

응용 분야

용도Ethyl 2-oxocyclohexanecarboxylate is used to produce other chemicals. For example, it can react with 4-methyl-aniline to get 2-oxo-cyclohexanecarboxylic acid p-toluidide. The reaction occurs with reagent DMAP

상·하류 제품 정보

상류 원료

하류 제품

3-메톡시사이클로헥센 6-브로모-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE 2-하이드록시사이클로헥산카복실산 1,2-사이클로펜탄디카르복실산 11-oxo-5,7,8,9,10,11-hexahydrobenzo[4,5]imidazo[1,2-b]isoquinoline-6-carbonitrile 4,5,6,7-Tetrahydro-2H-indazol-3(3aH)-one

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

연결된 노트

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Ethyl 2-oxocyclohexanecarboxylate

기본 정보