기본 정보
- CAS
36208-34-1- 표준 SMILES
CC(C)C12C=CC(C)(CC1)CC2C=O- InChIKey
PDSPBIIMJJPMBL-UHFFFAOYSA-N- 분자식
- C13H20O
- 평균 분자량
- 192.3 g/mol
- 단동위원소 질량
- 192.15141526
이름 및 식별자
- 우선 이름
- Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 4-methyl-1-(1-methylethyl)-
- IUPAC
- 4-methyl-1-propan-2-ylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde
- 영어명
- 1-isopropyl-4-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde
- 분자식
- C13H20O
- 분자량
- 192.3
이름 및 동의어
67920-94-91-Isopropyl-4-methylbicyclo(2.2.2)oct-5-ene-2-carbaldehydeBicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 4-methyl-1-(1-methylethyl)-1-ISOPROPYL-4-METHYLBICYCLO[2.2.2]OCT-5-ENE-2-CARBALDEHYDEBicyclo(2.2.2)oct-5-ene-2-carboxaldehyde, 4-methyl-1-(1-methylethyl)-Bicyclo(2.2.2)oct-5-ene-2-carboxaldehyde, 4-methyl-1-(1-methylethyl)-, (1R,2R,4S)-rel-EINECS 252-916-7EINECS 267-755-8Bicyclo(2.2.2)oct-5-ene-2-carboxaldehyde, 4-methyl-1-(1-methylethyl)-, (1alpha,2beta,4beta)-DTXSID50867403PDSPBIIMJJPMBL-UHFFFAOYSA-N1-Isopropyl-4-methylbicyclo(2.2.2)-5-octene-2-carboxaldehyde
이름 더 보기
4-Methyl-1-(1-methylethyl)bicyclo[2.2.2]oct-5-ene-2-carbaldehyde
4-methyl-1-(propan-2-yl)bicyclo[2.2.2]oct-5-ene-2-carbaldehydeNS000127441-isopropyl-4-methyl bicyclooctene-2-carbaldehyde(1alpha,2alpha,4beta)-1-Isopropyl-4-methylbicyclo(2.2.2)oct-5-ene-2-carbaldehyde(1alpha,2beta,4beta)-1-Isopropyl-4-methylbicyclo(2.2.2)oct-5-ene-2-carbaldehyde
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 279
물리화학적 성질
- 끓는 점
- 246.2 · 246.2±29.0 °C(Predicted)
- 밀도
- 1.042 · 1.042±0.06 g/cm3(Predicted)
- 화장품 원료 기능
- 향수
- LogP
- 3.571 · 3.571 (est)
- EPA
- 2.2 · Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 4-methyl-1-(1-methylethyl)- (67920-94-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 4-methyl-1-(1-methylethyl)-
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationBicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 4-methyl-1-(1-methylethyl)-: ACTIVE
관련 반응
0건
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