기본 정보
- CAS
2611-00-9- 표준 SMILES
O=C(OCC1CC=CCC1)C1CC=CCC1- InChIKey
FJPFRSQDAFMEKD-UHFFFAOYSA-N- 분자식
- C14H20O2
- 평균 분자량
- 220.31 g/mol
- 단동위원소 질량
- 220.14632988
이름 및 식별자
- 우선 이름
- 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate
- IUPAC
- cyclohex-3-en-1-ylmethyl cyclohex-3-ene-1-carboxylate
- 현지명
- 3-사이클로헥세닐3-사이클로헥센1-카복실레이트
- 영어명
- 3-Cyclohexenyl 3-cyclohexene 1-carboxylate
- 분자식
- C14H20O2
- 분자량
- 220.31
이름 및 동의어
2611-00-93-Cyclohexene-1-carboxylic acid, 3-cyclohexen-1-ylmethyl esterDiene 2213-Cyclohexenyl 3-cyclohexene 1-carboxylate3-CYCLOHEXENYLMETHYL 3-CYCLOHEXENECARBOXYLATECyclohex-3-enylmethyl cyclohex-3-enecarboxylateHSDB 5887E31OX8KGALEINECS 220-031-5NSC 49615NSC-496153-CYCLOHEXENE-1-CARBOXYLIC ACID 3-CYCLOHEXENYLMETHYL ESTER
이름 더 보기
3-사이클로헥세닐3-사이클로헥센1-카복실레이트CMCCCyclohex-3-en-1-ylmethyl cyclohex-3-enecarboxylateCYCLOHEX-3-EN-1-YLMETHYL CYCLOHEX-3-ENE-1-CARBOXYLATE3-Cyclohexenyl-methyl-3'-cyclohexen-carboxylat3-Cyclohexenyl-methyl-3-cyclohexene carboxylate3-Cyclohexenyl 3-cyclohexene 1-carboxylate(CMCC)Cyclobutanecarboxylicacid,7-oxo-,phenylmethylester1-Cyclohex-3-enylmethylcyclohex-3-ene-1-carboxylate
DTXSID90274933-CYCLOHEXEN-1-YLMETHYL 3-CYCLOHEXENECARBOXYLATE3-CYCLOHEXENYL 3-CYCLOHEXENE 1-CARBOXYLATE [HSDB]3-CYCLOHEXENYLMETHYL 3'-CYCLOHEXENE-1-CARBOXYLATE1,2,5,6-TETRAHYDROBENZYL 1,2,5,6-TETRAHYDROBENZOATERefChem:500784DTXCID407493Cyclohex3enylmethyl cyclohex3enecarboxylate
데이터베이스 식별자
- CAS
2611-00-9- PubChem CID
- 17465
- DTXSID
DTXSID9027493- UNII
- E31OX8KGAL
- EC Number
- 220-031-5
- Nikkaji
- J48.230G
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 291
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Other Organic Compounds
Vapor Pressure0.001 [mmHg]
Physical DescriptionColorless liquid with a sweet odor; [Reference #1]
물리화학적 성질
- 끓는 점
- 152 · 152-153 °C(Press: 7 Torr)
- 밀도
- 1.033 · 1.033±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- EPA
- 3 · 3-Cyclohexene-1-carboxylic acid, 3-cyclohexen-1-ylmethyl ester (2611-00-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.9% (2 of 70) of reports.
Warning
H302 (97.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 70 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information3-Cyclohexene-1-carboxylic acid, 3-cyclohexen-1-ylmethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryMild irritant effect in rabbit eye; Causes somnolence in lethal-dose feeding studies of rats; [RTECS]
Hazard Classes and CategoriesAcute Tox. 4 (97.1%)
안전 데이터
- tsca
- TSCA listed
- 유해 물질 데이터
- 2611-00-9(Hazardous Substances Data)
화학 및 산업
용도 및 제조
UsesUsed in synthesis, a closed system intermediate; [Reference #1]
General Manufacturing Information
3-Cyclohexene-1-carboxylic acid, 3-cyclohexen-1-ylmethyl ester: ACTIVE
TRADEMARK FOR A COMMERCIAL STEREOSPECIFIC POLYBUTADIENE RUBBER. /DIENE/
상·하류 제품 정보
하류 제품
공급사52 곳
常州市弘裕化工有限公司0519-89996110 13813691203 · [email protected]
上海比阳实业有限公司+86-21-52699951; +8613917686115 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
陕西纬宇新材料有限公司13772052144 13772052144 · [email protected]
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