基本情報
- CAS
65443-14-3- 標準SMILES
CCCCCC1(C)CCC(C)(C)C1=O- InChIKey
PUKWIVZFEZFVAT-UHFFFAOYSA-N- 分子式
- C13H24O
- 平均分子量
- 196.33 g/mol
- 単同位体質量
- 196.18271539
概要
2,2,5-Trimethyl-5-pentylcyclopentanone has been reported in Pelargonium tomentosum with data available.
名称と識別子
- 優先名称
- 2,2,5-Trimethyl-5-pentylcyclopentanone
- IUPAC
- 2,2,5-trimethyl-5-pentylcyclopentan-1-one
- 現地名
- 2,5,5-トリメチル-2-ペンチルシクロペンタノン
- 英語名
- 2,2,5-TRIMETHYL-5-PENTYLCYCLOPENTANONE
- 分子式
- C13H24O
- 分子量
- 196.33
名称と別名
2,2,5-Trimethyl-5-pentylcyclopentanone65443-14-32,2,5-Trimethyl-5-pentylcyclopentan-1-oneBN3YZU63MNCyclopentanone, 2,2,5-trimethyl-5-pentyl-DTXSID90523412,2,5-trimethyl-5-pentyl-cyclopentanoneRefChem:440753DTXCID9030913265-779-3Veloutone2-Pentyl-2,5,5-trimethylcyclopentanone
名称をさらに表示
2,5,5-トリメチル-2-ペンチルシクロペンタノンVELOUTONE, FIRMENICH2,5,5-Trimethyl-2-pentylcyclopentanone2,2,5-trimethyl-5-pentyl-cyclopentanon2,2,5-Trimethyl-5-pentylcyclopentan-1-on
EINECS 265-779-3fruity cyclopentanoneUNII-BN3YZU63MNSCHEMBL115158AKOS006271663NS00013300
データベース識別子
- CAS
65443-14-3- PubChem CID
- 103402
- DTXSID
DTXSID9052341- UNII
- BN3YZU63MN
物性
構造計算による物性
- XLogP
- 4.2
- 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
- 4
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 217
実験および物理化学的性質
FragrancesFragrance Ingredient (2,2,5-Trimethyl-5-pentylcyclopentanone) -> IFRA transparency List
Physical DescriptionLiquid
物理化学的性質
- 沸点
- 247.2 · 247.2±8.0 °C(Predicted)
- 比重(密度)
- 0.856 · 0.856±0.06 g/cm3(Predicted)
- 蒸気圧
- 9.2 Pa · 9.2Pa at 25℃
- 闪点
- 90 ° · 90°
- 臭い (Odor)
- 100 %で。フルーティーピーチ · 100.00%で。フルーティーピーチ アプリコット ジャスミン ラクトニックハーブ ラベンダー
- においのタイプ
- フルーティーな
- 水溶解度
- 18.9 mg/L · 18.9mg/L at 20℃
- 化粧品成分の機能
- 香料
- LogP
- 4.7 at · 4.7 at 20℃
- EPAの化学物質情報
- 2 · Cyclopentanone, 2,2,5-trimethyl-5-pentyl- (65443-14-3)
化学的性質
化学的特性2,2,5-TRIMETHYL-5-PENTYLCYCLOPENTANONE is a colorless to pale yellow liquid with a jasmine, lactone-like, and fruity odor. It is not found in nature. It is prepared by methylation of 2-pentylcyclopentanone with methyl iodide and sodium hydride in tetrahydrofuran. Because of its stability combined with a soft floral note, it has a wide use in jasmine and honeysuckle creations for, for example, body care products, soaps, and detergents.
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
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1698 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Cyclopentanone, 2,2,5-trimethyl-5-pentyl-
Cyclopentanone, 2,2,5-trimethyl-5-pentyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopentanone, 2,2,5-trimethyl-5-pentyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2,2,5-trimethyl-5-pentylcyclopentan-1-one (EC: 265-779-3)
2,2,5-trimethyl-5-pentyl-cyclopentanone: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
安全データ
- tsca
- TSCA listed
- ridadr
- UN3082
- 化審法
- 新規公示化学物質（2011年3月31日以前届出）
- hazard_class
- 9
化学と産業
用途と製造
U.S. Production2020: 21 lb
Consumer UsesFragrance
Household ProductsInformation on 10 consumer products that contain Trimethyl-Pentylcyclopentanone in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclopentanone, 2,2,5-trimethyl-5-pentyl-: ACTIVE
サプライヤー34 社
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
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025-025-66113011 15955137747 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
Syntechem Co.,Ltd[email protected]
北京东华力拓科技发展有限公司010-88425576 · [email protected]
北京大田丰拓化学技术有限公司13651141086 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
吉良化学21-62165282 · [email protected]
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