基本情報
- CAS
5182-36-5- 標準SMILES
CC1CC(C)(c2ccccc2)OC(C)O1- InChIKey
IEZPIUQRQRWIFE-UHFFFAOYSA-N- 分子式
- C13H18O2
- 平均分子量
- 206.28 g/mol
- 単同位体質量
- 206.13067981
名称と識別子
- 優先名称
- 1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-
- IUPAC
- 2,4,6-trimethyl-4-phenyl-1,3-dioxane
- 現地名
- 2,4,6-トリメチル-4-フェニル-1,3-ジオキサン
- 英語名
- FLOROPAL
- 分子式
- C13H18O2
- 分子量
- 206.28
名称と別名
2,4,6-Trimethyl-4-phenyl-1,3-dioxane5182-36-5FLOROPAL1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-EINECS 225-963-6DTXSID7052157RefChem:414729DTXCID2030726225-963-6VertacetalFloralateSCHEMBL110856
名称をさらに表示
2,4,6-トリメチル-4-フェニル-1,3-ジオキサンgardenia acetal2,4,6-trimethyl-4-phenyl-3-dioxane2,4,6-Trimethyl-4-phenyl-1,3-dioxan4-Phenyl-2,4,6-trimethyl-1,3-dioxane3-Dioxane,2,4,6-trimethyl-4-phenyl-1
BBL030527MFCD06407639STL349631AKOS015955288VS-098712,4,6-trimethyl-4-phenyl-(1,3)-dioxaneNS00013304
データベース識別子
- CAS
5182-36-5- PubChem CID
- 107381
- DTXSID
DTXSID7052157- EC Number
- 225-963-6
- Nikkaji
- J58.033C
物性
構造計算による物性
- XLogP
- 2.7
- 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
- 15
- 形式電荷
- 0
- 複雑度
- 211
実験および物理化学的性質
FragrancesFragrance Ingredient (2,4,6-Trimethyl-4-phenyl-1,3-dioxane) -> IFRA transparency List
Boiling Point278.00 to 279.00 °C. @ 760.00 mm Hg
物理化学的性質
- 沸点
- 278.7 · 278.7±25.0 °C(Predicted)
- 比重(密度)
- 0.977 · 0.977±0.06 g/cm3(Predicted)
- 臭い (Odor)
- 100 %で。新鮮な柑橘類のクチナシ · 100.00%で。新鮮な柑橘類のクチナシ グリーン ナチュラル
- においのタイプ
- 花柄
- 化粧品成分の機能
- 香料
- LogP
- 2.92 · 2.920 (est)
- EPAの化学物質情報
- 1 · 1,3-Dioxane, 2,4,6-trimethyl-4-phenyl- (5182-36-5)
化学的性質
化学的特性It is a colorless to pale yellow liquid, d204 1.018–1.023, n20D 1.501–1.506, with a herbal, fresh odor, reminiscent of grapefruit. It is prepared by a Prins reaction of -methylstyrene with acetaldehyde and is used in perfume compositions for soap, detergents, and household products.
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
This chemical does not meet GHS hazard criteria for 2.2% (36 of 1651) of reports.
Warning
H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1651 reports by companies from 3 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: 1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-
2,4,6-trimethyl-4-phenyl-1,3-dioxane: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (97.8%)
安全データ
- tsca
- TSCA listed
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
Household ProductsInformation on 4 consumer products that contain 2,4,6-Trimethyl-4-Phenyl-1,3-Dioxane in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-: ACTIVE
調製方法
製造方法The traditional product consists of a mixture of isomers containing about 60% of the sensorially more highly valued isomer. A product with a higher content of this isomer can be obtained by distillation . Correspondingly, this “Coeur” quality has a more strongly pronounced grapefruit note andmay therefore be used to impart fresh radiant grapefruit notes to modern personal care perfuming.
サプライヤー27 社
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
Syntechem Co.,Ltd[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
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