基本情報
- CAS
470-67-7- 標準SMILES
CC(C)C12CCC(C)(CC1)O2- InChIKey
RFFOTVCVTJUTAD-AOOOYVTPSA-N- 分子式
- C10H18O
- 平均分子量
- 154.25 g/mol
- 単同位体質量
- 154.13576519
概要
1,4-cineole is an oxabicycloalkane consisting of p-menthane with an epoxy bridge across positions 1 and 4. It has a role as a central nervous system depressant, a fumigant insecticide and a plant metabolite. It is a cineole and an oxabicycloalkane.
名称と識別子
- 優先名称
- 1,4-Cineole
- IUPAC
- 1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
- 現地名
- 1,4-シネオ-ル
- 英語名
- 1,4-Cineole
- 分子式
- C10H18O
- 分子量
- 154.25
名称と別名
1,4-Cineole470-67-7Isocineole1,4-Cineol1,4-EPOXY-P-MENTHANE1-Isopropyl-4-methyl-7-oxabicyclo[2.2.1]heptaneIsocineplep-Menthane, 1,4-epoxy-FEMA No. 3658p-Menthane, 1,4-epoxy1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane1-Methyl-4-(1-methylethyl)-7-oxabicyclo(2.2.1)heptane
名称をさらに表示
1,4-シネオ-ル1,4-シネオール(異性体混合物)シネオール, 1,4-1,4-シネオールFEMA 3658CINEOL 1,4CINEOLE, 1,4-CINEOLE, 1,4-(RG)CINEOLE, 1,4-(SG)1,4-epoxy-p-menthan
1-Isopropyl-4-methyl-7-oxabicyclo(2.2.1)heptane7-Oxabicyclo(2.2.1)heptane, 1-isopropyl-4-methyl-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane7-Oxabicyclo(2.2.1)heptane, 1-methyl-4-(1-methylethyl)-MFCD00209502B55JTU839B7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane
データベース識別子
- CAS
470-67-7
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 9.2 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
- 11
- 形式電荷
- 0
- 複雑度
- 164
実験および物理化学的性質
SpringerMaterials PropertiesOptical coefficient
LogP
2.97
2.97
Boiling Point65.00 °C. @ 16.00 mm Hg
Melting Point1 °C
Physical DescriptionLiquid
物理化学的性質
- 融点
- -46 °C · -46 °C (lit.)
- 沸点
- 65 °C/16 · 65 °C/16 mmHg (lit.)
- 比重(密度)
- 0.887 g/mL · 0.887 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.445(lit.)
- FEMA
- 3658 · 3658 | 1,4-CINEOLE
- 闪点
- 118 °F · 118 °F
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- 125 mg/mL · Almost insoluble in water, soluble in alcohol and oils. DMSO: 125 mg/mL (810.37 mM)
- 水溶解度
- Slightly soluble in water
- 外見
- Liquid
- 色
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。
安全データ
- F
- 10
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- OS9274000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 2932.19.5100
- risk_code
- 10
- safety_code
- 16
- hazard_class
- 3.2
- packing_group
- III
- Hazard Classifications
- Flam. Liq. 3
- ストレージクラス
- 3 - Flammable liquids
- 有毒物質データの
- 470-67-7(Hazardous Substances Data)
化学と産業
薬理情報
Metabolism/Metabolites1_4_cineole has known human metabolites that include 7-Oxabicyclo[2.2.1]heptan-2-ol, 1-methyl-4-(1-methylethyl)-.
Cellular LocationsExtracellular
用途と製造
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
応用分野
用途香料原料。
天然物の起源Reported present in Piper cubeba, lime peel oil, apricot, cardamom (Eleteria cardamomun Maton), orange juice, grapefruit juice, laurel (Laurus nobilis L), rosemary and mastic gum leaf oil. It is also present in various essential oils; Boldea fragrans Juss., Xanthoxylum rhetsa D.C. and Ormenis multicaulis.
使用Apart from the academic interest related to the olfactory similarity or dissimilarity) of isomer chemicals, there is not much interest in this chemical. It is not nearly as readily available as its isomer, Eucalyptol.
一般的な説明1,4-Cineole is present in eucalyptus oil. It activated both human TRPA1 (a sensor of noxious cold) and human TRPM 8 (a thermosensitive receptor). It is a natural monoterpene that inhibits plant growth.
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