기본 정보
- CAS
3419-32-7- 표준 SMILES
CCOC(=O)C1C(=O)C=CCC1C- InChIKey
CFQIYLYEYJYZEO-UHFFFAOYSA-N- 분자식
- C10H14O3
- 평균 분자량
- 182.22 g/mol
- 단동위원소 질량
- 182.0942943
이름 및 식별자
- 우선 이름
- Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers)
- IUPAC
- ethyl 6-methyl-2-oxocyclohex-3-ene-1-carboxylate
- 현지명
- 6-메틸-2-옥소-3-시클로헥센-1-카르복실산에틸에스테르
- 영어명
- 6-Methyl-2-oxo-3-cyclohexene-1-carboxylic acid ethyl ester
- 분자식
- C10H14O3
- 분자량
- 182.22
이름 및 동의어
ETHYL 6-METHYL-2-OXO-3-CYCLOHEXENE-1-CARBOXYLATE (MIXTURE OF ISOMERS)RefChem:595960680-027-83419-32-7ethyl 6-methyl-2-oxocyclohex-3-enecarboxylateEthyl 3-Methyl-5-cyclohexen-1-one-2-carboxylateethyl 6-methyl-2-oxocyclohex-3-ene-1-carboxylateEthyl 6-methyl-2-oxo-3-cyclohexene-1-carboxylate6-Methyl-2-oxo-3-cyclohexene-1-carboxylic Acid Ethyl EsterMFCD001341533-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-, ethyl esterSCHEMBL7727816
이름 더 보기
6-메틸-2-옥소-3-시클로헥센-1-카르복실산에틸에스테르3-Cyclohexene-1-carboxylicacid, 6-methyl-2-oxo-, ethyl esterEthyl6-Methyl-2-oxo-3-cyclohexene-1-carboxylate(mixtureofisomers)>Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers)ETHYL 6-METHYL-2-OXO-3-CYCLOHEXENE-1-CAR BOXYLATE, 95%, MIXTURE OF ISOMERSEthyl 3-Methyl-5-cyclohexen-1-one-2-carboxylate 6-Methyl-2-oxo-3-cyclohexene-1-carboxylic Acid Ethyl Ester
CFQIYLYEYJYZEO-UHFFFAOYSA-DTXSID30338500DAA41932AKOS024365008BS-44056SY052548CS-0210280ST50997674
데이터베이스 식별자
- CAS
3419-32-7- PubChem CID
- 549414
- DTXSID
DTXSID30338500- EC Number
- 680-027-8
- Nikkaji
- J2.203.999G
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 243
물리화학적 성질
- 끓는 점
- 107 · 107-110 °C/6 mmHg(lit.)
- 밀도
- 1.07 · 1.07
- 굴절률
- 20 · n20/D 1.477(lit.)
- 인화점
- 113 °C · 113 °C
- 산도 계수 (pKa)
- 11.23 · 11.23±0.40(Predicted)
- 물리적 상태
- 투명한 액체
- 색상
- White to Yellow to Green
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 39 reports by companies from 2 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
- HS 번호
- 2918300090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
화학 및 산업
공급사19 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
重庆科脉材料科技有限公司13370757113 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
成都伍源生物工程有限公司17358513851 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386, 800-988-0390 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
PNP Biotech Co. Ltd+86-18516098983 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
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