基本情報
- CAS
68228-05-7- 標準SMILES
CC(=O)CCC=C(C)CCC=C(C)C- InChIKey
HNZUNIKWNYHEJJ-UHFFFAOYSA-N- 分子式
- C13H22O
- 平均分子量
- 194.31 g/mol
- 単同位体質量
- 194.16706532
概要
Geranylacetone has been reported in Cecropia glaziovii, Cecropia pachystachya, and other organisms with data available.
名称と識別子
- 優先名称
- 6,10-Dimethylundeca-5,9-Dien-2-One
- IUPAC
- 6,10-dimethylundeca-5,9-dien-2-one
名称と別名
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
名称をさらに表示
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
データベース識別子
- CAS
68228-05-7、689-67-8- PubChem CID
- 19633
- DTXSID
DTXSID1021586- ChEMBL
CHEMBL3184326- EC Number
- 211-711-2
物性
構造計算による物性
- XLogP
- 3.7
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 6
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 230
実験および物理化学的性質
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
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
化学と産業
用途と製造
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
関連反応
8 件
化合物ノート
読み込み中…