3-オクタノン

3-Octanone

HCID 246728CAS 106-68-3

基本情報

標準SMILES
CCCCCC(=O)CC
InChIKey
RHLVCLIPMVJYKS-UHFFFAOYSA-N
分子式
C8H16O
平均分子量
128.21 g/mol
単同位体質量
128.12011513

名称と識別子

優先名称
3-Octanone
IUPAC
octan-3-one
現地名
3-オクタノン
英語名
3-Octanone
分子式
C8H16O
分子量
128.21

名称と別名

3-OctanoneOctan-3-one106-68-3Ethyl pentyl ketoneEthyl n-pentyl ketoneEthyl n-amyl ketone3-OxooctaneFEMA No. 2803DTXSID3041954NSC-60161DTXCID1021954CHEBI:80946
名称をさらに表示
3-オクタノンオクタン-3-オンエチルアミルケトンアミルエチルケトンエチルペンチルケトンオクタン‐3‐オンN-アミルエチルケトン3-オクタノン, 98%ペンチルエチルケトンETHYL AMYL KETONEFEMA 2803octan-3-OCTANONE,3-Octane-3-onn-Octanone-3
79173B4107RefChem:25868203-423-0Amyl ethyl ketoneEthyl n-amylketoneEAKNSC 60161MFCD00009515

データベース識別子

CAS
106-68-3
PubChem CID
246728
DTXSID
DTXSID3041954
ChEMBL
CHEMBL2269087
ChEBI
CHEBI:80946
UNII
79173B4107
EC Number
203-423-0
Nikkaji
J3.245J

物性

構造計算による物性

XLogP
2.3
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
5
重原子数
9

物理化学的性質

融点
-23 °C · -23 °C
沸点
167 · 167-168 °C (lit.)
比重(密度)
0.822 g/mL · 0.822 g/mL at 25 °C (lit.)
蒸気圧
2.67 hPa · 2.67hPa at 20℃
FEMA
2803 · 2803 | 3-OCTANONE
屈折率
20 · n20/D 1.415(lit.)

化学的性質

化学的特性3-Octanone has a strong, penetrating, fruity odor reminiscent of lavender.

安全と法規制

安全データ

wgk
1
tsca
TSCA listed
rtecs
RH1485000
ridadr
UN 2271
毒性
skn-rbt 500 mg/24H MOD FCTXAV 12,715,74
hs_code
29141900

化学と産業

応用分野 · 5 件

用途ラベンダー香水の成分、キノコとチーズの香味料

説明3-Octanone has a strong, penetrating, fruity odor reminiscent of lavender. It can be prepared by passing a mixture of vapors of caproic acid and acetic acid over ThO2 at 400°C, or by oxidation of d-ethyl n-amyl carbinol with chromates; another synthetic route is reported.

天然物の起源Reported identified in the low-boiling fraction of the essential oil of lavender; also reported found in the essential oils of Lavandula vera (10%) and French lavender. Reported found in banana, bilberry, currants, guava, melon, blueberry, blackberry, strawberry jam, peas, fried potato, ginger, Mentha oils, thyme, cheeses, butter, fish, cooked meats, cognac, coffee, tea, roasted peanuts, pecan, soybean, olive, plum, beans, mushroom, wild marjoram, trassi, rice bran, litchi, calamus, buckwheat, rosemary, lemon balm, clary sage, rosemary, truffle, nectarine, anise hyssop and maté.

使用3-Octanone can be produced by oxidation of 3-octanol or by heating propionic acid and caproic acid over thorium oxide. 3-Octanone is used as an ingredient in soaps, perfumes, lotions, and creams. It is also used as a flavoring agent in foods. U.S. production and importation of 3-octanone was estimated to be relatively low (,25,000 lb at a single site) in 2005 as data for 3-octanone were not included in the 2006 U.S. EPA Inventory Update Reporting database.

一般的な説明A clear colorless liquid with a pungent odor. Insoluble in water and partially soluble in alcohol. Flash point of 138°F. Vapors are denser than air and may have a narcotic effect in high concentrations. Used in making perfumes and as a solvent for nitrocellulose and vinyl resins.

調製方法

製造方法By heating propionic and caproic acids over thorium oxide or by oxidation of ethyl amyl carbinol (3-octanol) (Arctander, 1969).

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
江西益众化工有限公司15307925109 15350027073 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]

関連反応

13 件

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