기본 정보
- CAS
16556-48-2- 표준 SMILES
COC1=CC(C)(C)C(C(C)=O)C(C)(C)C1- InChIKey
ZGMRSDALCWKJIM-UHFFFAOYSA-N- 분자식
- C13H22O2
- 평균 분자량
- 210.31 g/mol
- 단동위원소 질량
- 210.16197994
이름 및 식별자
- 우선 이름
- Ethanone, 1-(4-methoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)-
- IUPAC
- 1-(4-methoxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl)ethanone
- 영어명
- 1-(4-methoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)ethan-1-one
- 분자식
- C13H22O2
- 분자량
- 210.31
이름 및 동의어
16556-48-21-(4-Methoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)ethan-1-oneEthanone, 1-(4-methoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)-EINECS 240-621-64-Acetyl-1-methoxy-3,3,5,5-tetramethyl-1-cyclohexeneDTXSID00864689RefChem:592498DTXCID00813177240-621-61-(4-methoxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl)ethanoneZGMRSDALCWKJIM-UHFFFAOYSA-NSCHEMBL11797850
이름 더 보기
1-(4-Methoxy-2,2,6,6-tetramethyl-3-cyclohexenyl)ethanone
1-(4-methoxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl)ethan-1-oneEINECS 240-621-6, CID86027, 4-Acetyl-1-methoxy-3,3,5,5-tetramethyl-1-cyclohexene, 1-(4-Methoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)ethan-1-one, Ethanone, 1-(4-methoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)-, 16556-48-2DB-276120NS00012840
데이터베이스 식별자
- CAS
16556-48-2- PubChem CID
- 86027
- DTXSID
DTXSID00864689- EC Number
- 240-621-6
- Nikkaji
- J318.245B
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 298
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (1-(4-Methoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)ethan-1-one) -> IFRA transparency List
물리화학적 성질
- 끓는 점
- 78 · 78-80 °C(Press: 1 Torr)
- 밀도
- 0.94 · 0.94±0.1 g/cm3(Predicted)
- 화장품 원료 기능
- 향수
- LogP
- 2.935 · 2.935 (est)
- EPA
- 1 · Ethanone, 1-(4-methoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)- (16556-48-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1364 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationChemical: Ethanone, 1-(4-methoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)-
Other Safety InformationIMAP assessments - Ethanone, 1-(4-methoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
Use ClassificationFragrance Ingredients
General Manufacturing InformationEthanone, 1-(4-methoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)-: ACTIVE
공급사1 곳
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