基本情報
- CAS
127-42-4- 標準SMILES
CCC(=O)C=C[C@H]1C(C)=CCCC1(C)C- InChIKey
VPKMGDRERYMTJX-ZDUSSCGKSA-N- 分子式
- C14H22O
- 平均分子量
- 206.32 g/mol
- 単同位体質量
- 206.16706532
概要
See other relationships...
名称と識別子
- 優先名称
- 1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-one
- IUPAC
- 1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-one
- 現地名
- (E)-1-[(R)-2,6,6-トリメチル-2-シクロヘキセン-1-イル]-1-ペンテン-3-オン
- 英語名
- FEMA 2597
- 分子式
- C14H22O
- 分子量
- 206.32
名称と別名
127-42-4SCHEMBL17627765メチルヨノン(E)-1-[(R)-2,6,6-トリメチル-2-シクロヘキセン-1-イル]-1-ペンテン-3-オンα-n-メチルヨノンメチルイオノンIRONE ALPHAALPHA-METHYL IONONEFEMA 2711METHYL IONONE ALPHAIRONALMethyl-α-ionone
名称をさらに表示
FEMA 2597METHYLIRIDONL-MethyliononeALPHA-CENTRONE
データベース識別子
- CAS
127-42-4- PubChem CID
- 90967090
- EC Number
- 204-842-1
物性
構造計算による物性
- XLogP
- 3.4
- 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
- 3
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 294
実験および物理化学的性質
FragrancesFragrance Ingredient (Methyl-alpha-ionone) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
物理化学的性質
- 沸点
- 238 °C · 238 °C
- 比重(密度)
- 0.928 · 0.928±0.06 g/cm3(Predicted)
- FEMA
- 2711 · 2711 | METHYL-ALPHA-IONONE
- 臭い (Odor)
- 10 %。フローラル · ジプロピレングリコール中10.00%。フローラル バイオレット オリス パウダリー ウッディ
- においのタイプ
- パウダリー
- JECFA Number
- 398 · 398
- 化粧品成分の機能
- 香料
- LogP
- 4.39 · 4.39
- EPAの化学物質情報
- 1 · 1-Penten-3-one, 1-[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, (1E)- (127-42-4)
化学的性質
化学的特性Methyl-α-ionone has an odor similar to α-ionone, but lighter and more rounded. It has a pleasant, fruity and sweet nuance
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 (> 99.9%): 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 1496 reports by companies from 10 notifications to the ECHA C&L Inventory.
Warning
H315: Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, [R-(E)]-
[R-(E)]-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Ionones: Human health tier II assessment
Hazard Classes and Categories
Aquatic Chronic 2 (> 99.9%)
Skin irritation - category 2
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
Household ProductsInformation on 28 consumer products that contain Alpha-Methyl-Alpha-Ionone in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information1-Penten-3-one, 1-[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, (1E)-: ACTIVE
応用分野
説明Methyl-α-ionone has an odor similar to α-ionone but lighter and more rounded with a pleasant, fruity, and sweet nuance. May be prepared by condensation of citral with methyl ethyl ketone (see methyl y-ionone or α-iso-methylionone).Pectic enzymes are indispensable for making high-density fruit juice concentrates or purees. Enzyme depectinization is required for apple juice concentrate of about 72° Brix, which is made on a large scale, as otherwise a gel would result rather than the desired liquid concentrate. Pectic enzymes are useful in treating orange, grape and prune pulps prior to vacuum puff drying.
調製方法
製造方法By condensation of citral with methyl ethyl ketone (see methyl γ-ionone or α-iso-methylionone)
サプライヤー28 社
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
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