Ethyl 4-hydroxycyclohexanecarboxylate

HCID 86973

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 17159-80-7
표준 SMILES: CCOC(=O)C1CCC(O)CC1
InChIKey: BZKQJSLASWRDNE-UHFFFAOYSA-N
분자식: C9H16O3
평균 분자량: 172.22 g/mol
단동위원소 질량: 172.10994437

개요

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이름 및 식별자

우선 이름: Ethyl 4-hydroxycyclohexanecarboxylate
IUPAC: ethyl 4-hydroxycyclohexane-1-carboxylate
영어명: ETHYL 4-HYDROXYCYCLOHEXANECARBOXYLATE
분자식: C9H16O3
분자량: 172.22

이름 및 동의어

Ethyl 4-hydroxycyclohexanecarboxylate17159-80-7ethyl 4-hydroxycyclohexane-1-carboxylateCyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester4-Hydroxycyclohexanecarboxylic acid ethyl esterEINECS 241-215-1DTXSID90169135AI3-28355D266CGU6M5RefChem:138771DTXCID7091626241-215-1

이름 더 보기

4-HydroxycyclohexanecarboxylateEthyl 4-hydroxycyclohexanecarbonateEthyl 4-hydroxycyclohexylcarboxylateEthyl4-hydroxycyclohexanecarboxylate,98%Ethyl 4-hydroxycyclohexanecarboxylate 97%Ethyl 4-hydroxycyclohexanecarboxylate≥ 99% (assay)

3618-04-075877-66-6cis-Ethyl 4-hydroxycyclohexanecarboxylatetrans-ethyl 4-hydroxycyclohexanecarboxylateEthyl trans-4-HydroxycyclohexanecarboxylateEthyl cis-4-hydroxycyclohexanecarboxylatetrans-4-Hydroxycyclohexanecarboxylic Acid Ethyl EsterMFCD00192156

데이터베이스 식별자

CAS: 17159-80-7、3618-04-0、75877-66-6
PubChem CID: 86973
DTXSID: DTXSID90169135
UNII: DYE45Z9SRP、R7LV2TYU78
EC Number: 187-677-7、241-215-1
Nikkaji: J3.152.123H、J3.311.411G、J318.163D

물성

구조 계산 물성

XLogP: 1
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 148

실험 및 물리화학적 성질

Chemical ClassesIndustrial compound

물리화학적 성질

끓는 점: 127 · 127-134 °C0.1 mm Hg(lit.)
밀도: 1.068 g/mL · 1.068 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.466(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: liquid
산도 계수 (pKa): 14.98 · 14.98±0.40(Predicted)
Specific Gravity: 1.068 · 1.068
수용성: 물에 섞이거나 혼합하기 어렵지 않습니다.
InChI: InChI=1S/C9H16O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8,10H,2-6H2,1H3
InChIKey: BZKQJSLASWRDNE-UHFFFAOYSA-N
SMILES: C1(C(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)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2918199890
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Ethyl 4-hydroxycyclohexanecarboxylate, cis + trans is used in the synthesis of other chemicals and as pharmaceutical intermediate.

상·하류 제품 정보

상류 원료

공급사85 곳

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

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

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

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