基本情報
- CAS
131812-52-7- 標準SMILES
CC1COC(C)(c2ccc3c(c2)C(C)(C)CCC3(C)C)O1- InChIKey
JEPWTUCYPWOCQV-UHFFFAOYSA-N- 分子式
- C19H28O2
- 平均分子量
- 288.4 g/mol
- 単同位体質量
- 288.20893013
概要
structure in first source
名称と識別子
- 優先名称
- 1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-
- IUPAC
- 2,4-dimethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane
- 英語名
- 1,3-Dioxolan, 2,4-Dimethyl-2-(5,6,7,8,-Tetrahydro-5,5,8,8-tetramethyl-2-naphtalenyl)-
- 分子式
- C19H28O2
- 分子量
- 288.42
名称と別名
131812-67-41,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-OkoumalDTXSID00888946131812-52-7RefChem:414867DTXCID701028216639-471-8687-591-4131812-51-62,4-dimethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolanewoody dioxolane
名称をさらに表示
1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-, trans- (9CI)
SCHEMBL1775975SCHEMBL293644612,4-Dimethyl-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dioxolaneNS000241742,4-Dimethyl-2-(1,1,4,4-tetramethyl-tetralin-6-Yl)-1,3-dioxolane
データベース識別子
- CAS
131812-52-7、131812-67-4- PubChem CID
- 3034278
- DTXSID
DTXSID00888946- EC Number
- 412-950-7、639-471-8、687-591-4
- Nikkaji
- J1.368.038H
物性
構造計算による物性
- XLogP
- 5.1
- 極性表面積
- 18.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 400
実験および物理化学的性質
Fragrances
Fragrance Ingredient (1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-, trans-) -> IFRA transparency List
Fragrance Ingredient (2,4-Dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1,3-dioxolane) -> IFRA transparency List
物理化学的性質
- 沸点
- 352.8 · 352.8±37.0 °C(Predicted)
- 比重(密度)
- 0.97 · 0.970±0.06 g/cm3(Predicted)
- 化粧品成分の機能
- 香料
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1555 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (18.5%): Causes skin irritation [Warning Skin corrosion/irritation]
危険有害性情報
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: A mixture of: trans-2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-naphthalene-2-yl)-1,3-dioxolane; cis-2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-naphthalene-2-yl)-1,3-dioxolane (EC: 412-950-7)
Hazard Classes and Categories
Aquatic Acute 1 (100%)
Aquatic Acute 1 (40%)
Skin Irrit. 2 (18.5%)
安全データ
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H410
化学と産業
用途と製造
Household ProductsInformation on 1 consumer products that contain 1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)- in the following categories is provided:
Use Classification
Fragrance Ingredients
Fragrance Ingredients
General Manufacturing Information1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-: ACTIVE
サプライヤー14 社
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
武汉卡诺斯科技有限公司027-83238443 15327105076 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
BOC Sciences[email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
湖北东曹化学科技有限公司027-83238443 13343438265 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
関連反応
3 件
化合物ノート
読み込み中…