基本情報
- CAS
13144-88-2- 標準SMILES
CC(=O)C1=C(C)CC(C)(C)C1(C)C- InChIKey
LLCMOZBDJDCWLT-UHFFFAOYSA-N- 分子式
- C12H20O
- 平均分子量
- 180.29 g/mol
- 単同位体質量
- 180.15141526
概要
structure in first source
名称と識別子
- 優先名称
- 1-(2,4,4,5,5-Pentamethyl-1-cyclopenten-1-yl)ethan-1-one
- IUPAC
- 1-(2,4,4,5,5-pentamethylcyclopenten-1-yl)ethanone
- 現地名
- 1-(2,4,4,5,5-ペンタメチル-1-シクロペンテン-1-イル)エタノン
- 英語名
- 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)ethan-1-one
- 分子式
- C12H20O
- 分子量
- 180.29
名称と別名
1-(2,4,4,5,5-Pentamethyl-1-cyclopenten-1-yl)ethan-1-oneRefChem:592429236-080-013144-88-2Ethanone, 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)-1-(2,4,4,5,5-pentamethylcyclopenten-1-yl)ethanone1-(2,4,4,5,5-pentamethylcyclopent-1-en-1-yl)ethan-1-one1,3,3,4,4-Pentamethyl-2-acetyl-1-cyclopentene2-Acetyl-1,3,3,4,4-pentamethylcyclopenteneEINECS 236-080-01-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)-ethanone; Methyl 2,4,4,5,5-Pentamethyl-1-cyclopenten-1-yl KetoneSCHEMBL445093
名称をさらに表示
1-(2,4,4,5,5-ペンタメチル-1-シクロペンテン-1-イル)エタノン2-Acetyl-1,3,3,4,4-pentamethyl-1-cyclopentene1-(2,4,4,5,5-Pentamethyl-1-cyclopenten-1-yl)ethanone1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)-ethanon
DTXSID9065362LLCMOZBDJDCWLT-UHFFFAOYSA-NDB-286905NS00013102
物性
構造計算による物性
- XLogP
- 2.8
- 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
- 1
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 279
実験および物理化学的性質
FragrancesFragrance substance (1-(2,4,4,5,5-Pentamethyl-1-cyclopenten-1-yl)ethan-1-one) -> IFRA amendment 49
物理化学的性質
- 化粧品成分の機能
- 香料
- LogP
- 3.369 · 3.369 (est)
- EPAの化学物質情報
- 1 · Ethanone, 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)- (13144-88-2)
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 60.7% (54 of 89) of all reports.
Warning
H317 (39.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationChemical: Ethanone, 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)-
Other Safety InformationIMAP assessments - Ethanone, 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)-: Human health tier I assessment
Hazard Classes and CategoriesSkin Sens. 1B (39.3%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
IFRA Fragrance Standards
1-(2,4,4,5,5-Pentamethyl-1-cyclopenten-1-yl)ethan-1-one
2-Acetyl-1,3,3,4,4-pentamethyl-1-cyclopentene; Ethanone, 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)-; 1-(2,4,4,5,5-Pentamethylcyclopent-1-en-1-yl)ethanone; Alpinone (commercial name)
IFRA_STD_072.pdf
49
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
General Manufacturing InformationEthanone, 1-(2,4,4,5,5-pentamethyl-1-cyclopenten-1-yl)-: ACTIVE
Restriction Limits in the Finished Product (%)
0.077 [Products applied to the lips]
0.023 [Products applied to the axillae]
0.46 [Products applied to the face/body using fingertips]
0.43 [Products related to fine fragrances]
0.11 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.11 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
応用分野
使用1,3,3,4,4-Pentamethyl-2-acetyl-1-cyclopentene is an ingredient that is found in fragrance materials.
サプライヤー3 社
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安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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