基本情報
- CAS
67633-95-8- 標準SMILES
CCCCCCCC(=O)CCO- InChIKey
XDFCZUMLNOYOCH-UHFFFAOYSA-N- 分子式
- C10H20O2
- 平均分子量
- 172.26 g/mol
- 単同位体質量
- 172.14632988
名称と識別子
- 優先名称
- 1-Hydroxydecan-3-one
- IUPAC
- 1-hydroxydecan-3-one
- 現地名
- 1-ヒドロキシ-3-デカノン
- 英語名
- 1-hydroxydecan-3-one
- 分子式
- C10H20O2
- 分子量
- 172.26
名称と別名
1-Hydroxydecan-3-one67633-95-81-Hydroxy-3-decanone3-Decanone, 1-hydroxy-EINECS 266-796-9DTXSID8052352RefChem:433175DTXCID8030924266-796-9Methyl lavender ketonedecan-1-ol-3-one1-hydroxy-decan-3-one
名称をさらに表示
1-ヒドロキシ-3-デカノン1-ヒドロキシデカン-3-オン1-hydroxy-3-decanon1-Hydroxydecan-3-onethyl hydroxyheptyl ketone
SCHEMBL1278378SCHEMBL28589336NS00012410Q67880005
データベース識別子
- CAS
67633-95-8- PubChem CID
- 105510
- DTXSID
DTXSID8052352- EC Number
- 266-796-9
- Nikkaji
- J35.912B
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 37.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 8
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 110
実験および物理化学的性質
Fragrances
Fragrance substance (Methyl lavender ketone) -> IFRA amendment 51
Fragrance Ingredient (3-Decanone, 1-hydroxy) -> IFRA transparency List
物理化学的性質
- 沸点
- 269.6 · 269.6±13.0 °C(Predicted)
- 比重(密度)
- 0.915 · 0.915±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 14.36 · 14.36±0.10(Predicted)
- 臭い (Odor)
- Sweet-herbaccous, somewhat fungoid or mushroomy odor
- 水溶解度
- Insoluble in water
- 化粧品成分の機能
- 香料
- LogP
- 2.318 · 2.318 (est)
- EPAの化学物質情報
- 3 · 3-Decanone, 1-hydroxy- (67633-95-8)
化学的性質
化学的特性Colorless oily liquid. Insoluble in water, soluble in alcohol and oils.
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
H315 (99.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 1169 reports by companies from 2 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: 3-Decanone, 1-hydroxy-
3-Decanone, 1-hydroxy-: 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 - 3-Decanone, 1-hydroxy-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (99.1%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
IFRA Fragrance Standards
Methyl lavender ketone
Methyl lavender ketone; 2-Nonanone, 3-(hydroxymethyl)-; 3-(Hydroxymethyl)nonan-2-one; Herbal ketone; 2-Acetyl-1-octanol; 1-Hydroxydecan-3-one; 3-Decanone, 1-hydroxy; 1-Hydroxy-3-decanone; Ethyl hydroxyheptyl ketone
IFRA_STD_231.pdf
51
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
Use ClassificationFragrance Ingredients
General Manufacturing Information3-Decanone, 1-hydroxy-: ACTIVE
Restriction Limits in the Finished Product (%)
0.015 [Products applied to the lips]
0.0044 [Products applied to the axillae]
0.088 [Products applied to the face/body using fingertips]
0.082 [Products related to fine fragrances]
0.021 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.021 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
応用分野
使用1-Hydroxy-3-decanone is rarely offered as such commercially, but it may occur as part of various reaction mixtures intended for use in soap perfumery as Lavender-reinforcing agents.
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