기본 정보
- CAS
4362-22-5- 표준 SMILES
CC(c1ccccc1)C1OCCO1- InChIKey
SATZAQAJSHXNSJ-UHFFFAOYSA-N- 분자식
- C11H14O2
- 평균 분자량
- 178.23 g/mol
- 단동위원소 질량
- 178.09937969
개요
2-(1-phenylethyl)-1,3-dioxolane is a dioxolane that is 1,3-dioxolane substituted by a 1-phenylethyl group at position 2. It has a role as a metabolite. It is a member of benzenes, a dioxolane and a cyclic acetal. It derives from a hydride of a 1,3-dioxolane.
이름 및 식별자
- 우선 이름
- 1,3-Dioxolane, 2-(1-phenylethyl)-
- IUPAC
- 2-(1-phenylethyl)-1,3-dioxolane
- 현지명
- 1,3-디옥소란,2-(1-페닐레틸)
- 영어명
- 1,3-Dioxolane, 2-(1-phenylethyl)
- 분자식
- C11H14O2
- 분자량
- 178.23
이름 및 동의어
2-(1-Phenylethyl)-1,3-dioxolane4362-22-51,3-Dioxolane, 2-(1-phenylethyl)-2-phenylpropanal ethylene acetalG7I4277EKNEINECS 224-449-9NSC 39437NSC-394371,3-Dioxolane, 2-(alpha-methylbenzyl)-AI3-31829CHEBI:87596DTXSID10863380
이름 더 보기
1,3-디옥소란,2-(1-페닐레틸)2-phenyl propionaldehyde ethylene glycol acetalRARECHEM AL BP 01232-(1-phenylethyl)-3-dioxolane3-Dioxolane,2-(1-phenylethyl)-11,3-Dioxolane, 2-(1-phenylethyl)HYDRATROPIC ALDEHYDE CYCLOGLYCOL ACETAL
2-(1-PHENYLETHYL)DIOXOLANERefChem:414877DTXCID40812008224-449-9UNII-G7I4277EKNNSC394371, 2-(1-phenylethyl)-SCHEMBL3506568
데이터베이스 식별자
- CAS
4362-22-5- PubChem CID
- 97785
- DTXSID
DTXSID10863380- ChEBI
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 146
물리화학적 성질
- 용해도
- Almost insoluble in water, soluble in alcohol and oils.
- 색상
- Colorless oily liquid
- 냄새
- 100 %에서 · 100.00%에서. 곰팡이, 흙냄새
- 냄새 유형
- 꽃향기
- 화장품 원료 기능
- 향수
- LogP
- 1.942 · 1.942 (est)
- EPA
- 1 · 1,3-Dioxolane, 2-(1-phenylethyl)- (4362-22-5)
화학적 성질
Slightly bitter, Mushroom-like, but not exactly pleasant taste. This Acctal is one of the most commonly used of the cyclic Acctals of Hydratropaldchyde. In spite of its very peculiar odor, it finds application in a great variety of fragrances and - because of its lack of sweetness - not much in flavor compositions.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1,3-Dioxolane, 2-(1-phenylethyl)-
1,3-Dioxolane, 2-(1-phenylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information1,3-Dioxolane, 2-(1-phenylethyl)-: ACTIVE
공급사2 곳
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
추가 설명
정의ChEBI: A dioxolane that is 1,3-dioxolane substituted by a 1-phenylethyl group at position 2.
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…