기본 정보
- CAS
7500-55-2- 표준 SMILES
COC(=O)C1CC=CCC1C(=O)OC- InChIKey
DVVAGRMJGUQHLI-UHFFFAOYSA-N- 분자식
- C10H14O4
- 평균 분자량
- 198.22 g/mol
- 단동위원소 질량
- 198.08920892
이름 및 식별자
- 우선 이름
- 4-Cyclohexene-1,2-dicarboxylic acid, 1,2-dimethyl ester
- IUPAC
- dimethyl cyclohex-4-ene-1,2-dicarboxylate
- 현지명
- 디메틸사이클로헥스-3-엔-1,6-디카르복실레이트
- 영어명
- dimethyl cyclohex-3-ene-1,6-dicarboxylate
- 분자식
- C10H14O4
- 분자량
- 198.22
이름 및 동의어
Dimethyl 4-cyclohexene-1,2-dicarboxylate7500-55-24-CYCLOHEXENE-1,2-DICARBOXYLIC ACID, DIMETHYL ESTERNSC 401683BRN 1876401AI3-034084-Cyclohexene-1,2-dicarboxylic acid, 1,2-dimethyl esterDTXSID50884392RefChem:522301DTXCID801000932633-295-5dimethyl cyclohex-4-ene-1,2-dicarboxylate
이름 더 보기
디메틸사이클로헥스-3-엔-1,6-디카르복실레이트RP-1【ester】dimethyl cyclohex-3-ene-1,6-dicarboxylate4-Cyclohexene-1,2-dicarboxylic acid dimethyl ester1-Cyclohexene-4,5-dicarboxylic acid dimethyl ester(1R)-4-Cyclohexene-1β,2β-dicarboxylic acid dimethyl ester(1S,2S)-4-Cyclohexene-1,2-dicarboxylic acid dimethyl ester(1R,2R)-4-Cyclohexene-1,2-dicarboxylic acid dimethyl ester
RP 1 (ester)RP 1Dimethyl trans-cyclohex-4-ene-1,2-dioatestarbld0018115cis-4-Cyclohexene-1,2-dicarboxylic Acid Dimethyl EsterNCIOpen2_000700SCHEMBL4180704-Cyclohexene-1, dimethyl ester
데이터베이스 식별자
- CAS
7500-55-2- PubChem CID
- 24124
- DTXSID
DTXSID50884392- EC Number
- 633-295-5
- Nikkaji
- J15.014B
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 231
실험 및 물리화학적 성질
Kovats Retention Index1359；1365；1373；1381
물리화학적 성질
- EPA
- 4 · 4-Cyclohexene-1,2-dicarboxylic acid, dimethyl ester (7500-55-2)
안전 및 규제
GHS 분류
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information4-Cyclohexene-1,2-dicarboxylic acid, 1,2-dimethyl ester: INACTIVE
상·하류 제품 정보
상류 원료
공급사2 곳
吉林中科研伸科技有限公司18143011203 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
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