2-デカノン
2-Decanone
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基本情報
- CAS
693-54-9- 標準SMILES
CCCCCCCCC(C)=O- InChIKey
ZAJNGDIORYACQU-UHFFFAOYSA-N- 分子式
- C10H20O
- 平均分子量
- 156.26 g/mol
- 単同位体質量
- 156.15141526
概要
Decan-2-one is a methyl ketone that is decane in which the methylene hydrogens at position 2 are replaced by an oxo group. It has a role as a plant metabolite. It derives from a hydride of a decane.
名称と識別子
- 優先名称
- 2-Decanone
- IUPAC
- decan-2-one
- 現地名
- 2-デカノン
- 英語名
- 2-Decanone
- 分子式
- C10H20O
- 分子量
- 156.27
名称と別名
2-DecanoneDecan-2-oneDTXSID9022104UNII-GX543OLT0RGX543OLT0REINECS 211-752-6BRN 1747463CHEBI:779292-DECANONE [FHFI]DTXCID002104FEMA NO. 42714-01-00-03367 (Beilstein Handbook Reference)
名称をさらに表示
2-デカノンメチルn-オクチルケトンデカン-2-オンメチルオクチルケトンメチル n-オクチルケトンDECANONE463582-Decanonecan-2-one2-Oxodecane2-decanone+A8
Methyl noctyl ketoneRefChem:86659ZAJNGDIORYACQU-UHFFFAOYSA-N693-54-9METHYL OCTYL KETONEMethyl n-octyl ketoneOctyl methyl ketonen-C8H17COCH3
データベース識別子
- CAS
693-54-9- PubChem CID
- 12741
- DTXSID
DTXSID9022104- ChEMBL
CHEMBL47127- ChEBI
CHEBI:77929- UNII
- GX543OLT0R
- EC Number
- 211-752-6
- Nikkaji
- J79.790A
物性
構造計算による物性補完中
- XLogP
- 3.7
- 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
- 7
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 97
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
SolventsSolvents -> Ketones (<C12)
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (2-Decanone) -> IFRA transparency List
LogP
3.73
3.78
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.821-0.831 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
0.0768 mg/mL at 25 °C
Insoluble in water; soluble in fats and oils
Insoluble (in ethanol)
Flash Point[ChemIDplus] 71 °C
Boiling Point
210.00 °C. @ 760.00 mm Hg
210-212 °C
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 11.2% (163 of 1451) of reports.
H411 (88.8%): 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 1451 reports by companies from 4 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 2-Decanone
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Decanone: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 2 (88.8%)
毒性情報
Adverse EffectsNeurotoxin - Acute solvent syndrome
安全データ
- F
- 10-23
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- HE0725000
- ridadr
- NA 1993 / PGIII
- 毒性
- LD50 orl-mus: 7936 mg/kg TOLED5 30,13,86
- hs_code
- 29141990
- 化審法
- (2)-542
- 消防法
- 危-4-3-III
- safety_code
- 24/25
- ストレージクラス
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Decanone: ACTIVE
応用分野
用途デカノンの主な用途は溶剤としての利用です特に油性の物質を溶解する能力に優れており塗料インクまたはその他の産業プロセスで使用されますさらにデカノンは香料の製造にも使われその独特の香りが多くの製品の香り付けに寄与しています
天然物の起源Reported found in rue oil China (1.31%), rue flower oil Colombia (1.25%), rue oil Cuba (0.72%), ambrette seed oil (0.10%), Croton flavens L. (Welensali) leaf oil Curacao (0.10%), cascarilla bark oil (0.06%) and violet flower absolute.
使用2-Decanone was used in the synthesis of brushed block copolymers via conjugation through an acid-labile hydrazone linker to poly(ethylene glycol)-poly(aspartate hydrazide) block copolymers; methyl ketones. 2-decanone is used as a solvent and an intermediate in synthesising pharmaceuticals and agrochemicals. 2-Decanone has very interesting effects, along with Oakmoss, one of the few materials sufficiently effective as a fixative for ketone. The well-known and highly appreciated topnotes of good quality Oakmoss are enhanced and beautified by small amounts of this ketone. It also finds limited application in flavours, particularly in imitation Coconut and Banana, where its dry-fruity character lends desirable notes.
一般的な説明2-Decanone is a constituent of the essential oil of Ruta chalepensis L., which is used in the production of food, drugs and perfumery.
上流・下流製品情報
上流原料
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