2-Cyclohexene-1-carboxylic acid, 2-ethyl-3,6,6-trimethyl-, ethyl ester

HCID 20236378

노트 반응

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기본 정보

CAS: 58535-04-9
표준 SMILES: CCOC(=O)C1C(CC)=C(C)CCC1(C)C
InChIKey: KUWSFOYADXUUTQ-UHFFFAOYSA-N
분자식: C14H24O2
평균 분자량: 224.34 g/mol
단동위원소 질량: 224.17763001

이름 및 식별자

우선 이름: 2-Cyclohexene-1-carboxylic acid, 2-ethyl-3,6,6-trimethyl-, ethyl ester
IUPAC: ethyl 2-ethyl-3,6,6-trimethylcyclohex-2-ene-1-carboxylate

이름 및 동의어

58535-04-92-Cyclohexene-1-carboxylic acid, 2-ethyl-3,6,6-trimethyl-, ethyl esterDTXSID80886268RefChem:470875DTXCID8010256032-ethyl-3,6,6-trimethyl-2-cyclohexene-1-carboxylic acid ethyl esterSCHEMBL9579824ethyl 2-ethyl-3,6,6-trimethylcyclohex-2-ene-1-carboxylateDB-313999

데이터베이스 식별자

CAS: 58535-04-9
PubChem CID: 20236378
DTXSID: DTXSID80886268
Nikkaji: J429.372J

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 300

안전 및 규제

유해성 정보

Regulatory Information · 2건

Chemical: 2-Cyclohexene-1-carboxylic acid, 2-ethyl-3,6,6-trimethyl-, ethyl ester

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

화학 및 산업

용도 및 제조

General Manufacturing Information2-Cyclohexene-1-carboxylic acid, 2-ethyl-3,6,6-trimethyl-, ethyl ester: INACTIVE

화합물 노트

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