기본 정보
- CAS
1226911-69-8- 표준 SMILES
C/C(=C\c1ccc(C)cc1)CCC=O- InChIKey
LBKHGAIELUNYML-ZRDIBKRKSA-N- 분자식
- C13H16O
- 평균 분자량
- 188.26 g/mol
- 단동위원소 질량
- 188.12011513
이름 및 식별자
- 우선 이름
- 4-Pentenal, 4-methyl-5-(4-methylphenyl)-, (4E)-
- IUPAC
- (E)-4-methyl-5-(4-methylphenyl)pent-4-enal
이름 및 동의어
4-Pentenal, 4-methyl-5-(4-methylphenyl)-, (4E)-1226911-69-8DTXSID60889277(4E)-4-methyl-5-(4-methylphenyl)-4-pentenalRefChem:526244DTXCID501028541700-748-4(4E)-4-methyl-5-(4-methylphenyl)pent-4-enalSCHEMBL2243080
데이터베이스 식별자
- CAS
1226911-69-8- PubChem CID
- 71465644
- DTXSID
DTXSID60889277- EC Number
- 700-748-4
- Nikkaji
- J3.298.045G、J3.642.856B
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 197
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (4-Pentenal, 4-methyl-5-(4-methylphenyl)-, (4E)-) -> IFRA transparency List
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 15 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 4-Pentenal, 4-methyl-5-(4-methylphenyl)-, (4E)-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 20-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21521
4-Pentenal, 4-methyl-5-(4-methylphenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
화학 및 산업
용도 및 제조
Use ClassificationFragrance Ingredients
General Manufacturing Information4-Pentenal, 4-methyl-5-(4-methylphenyl)-, (4E)-: ACTIVE
관련 반응
2건
화합물 노트
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