기본 정보
- CAS
68228-05-7- 표준 SMILES
CC(=O)CCC=C(C)CCC=C(C)C- InChIKey
HNZUNIKWNYHEJJ-UHFFFAOYSA-N- 분자식
- C13H22O
- 평균 분자량
- 194.31 g/mol
- 단동위원소 질량
- 194.16706532
개요
Geranylacetone has been reported in Cecropia glaziovii, Cecropia pachystachya, and other organisms with data available.
이름 및 식별자
- 우선 이름
- 6,10-Dimethylundeca-5,9-Dien-2-One
- IUPAC
- 6,10-dimethylundeca-5,9-dien-2-one
이름 및 동의어
6,10-Dimethylundeca-5,9-dien-2-oneRefChem:1073536211-711-2689-67-8DTXSID10215866,10-dimethyl-5,9-undecadiene-2-oneNSC 4066796,10-Dimethyl-undeca-5,9-dien-2-oneneryl acetoneMFCD00008910Geranylacetone(Z/E)EINECS 211-711-2
이름 더 보기
AI3-04987Undecadien-2-one, 6,10-dimethyl-(5E)-6,10-dimethyl-2-undeca-5,9-dienone5,9-Undecadien-2-one, 6,10-dimethyl-, (A836300EC 211-711-2SCHEMBL112856orb1298994
데이터베이스 식별자
- CAS
68228-05-7、689-67-8- PubChem CID
- 19633
- DTXSID
DTXSID1021586- ChEMBL
CHEMBL3184326- EC Number
- 211-711-2
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 230
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (6,10-Dimethylundeca-5,9-dien-2-one) -> IFRA transparency List
Density0.861-0.873
Solubility
slightly soluble in water; soluble in oil
sparingly soluble (in ethanol)
Boiling Point247 °C
Refractive Index1.462-1.472
Physical DescriptionColourless slightly yellow liquid; fresh floral but penetrating sweet-rosey aroma
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]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1704 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 5,9-Undecadien-2-one, 6,10-dimethyl-
Chemical: Undecadien-2-one, 6,10-dimethyl-
Status: Active Update: 20-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/16381
5,9-Undecadien-2-one, 6,10-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
화학 및 산업
용도 및 제조
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
5,9-Undecadien-2-one, 6,10-dimethyl-: ACTIVE
Undecadien-2-one, 6,10-dimethyl-: INACTIVE
관련 반응
8건
화합물 노트
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