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1-ヒドロペルオキシ-1,2,3,4-テトラヒドロナフタレン

Tetralin hydroperoxide

HCID 69866
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
26447-24-5
標準SMILES
OOC1CCCc2ccccc21
InChIKey
YWBMNCRJFZGXJY-UHFFFAOYSA-N
分子式
C10H12O2
平均分子量
164.2 g/mol
単同位体質量
164.08372962

概要

Hydroperoxide formed by the oxidation of tetralin, a DuPont product, used as a turpentine replacement. The technical grade hydroperoxide is a liquid and will have a residual odor of benzene/menthol.

名称と識別子

優先名称
Tetralin hydroperoxide
IUPAC
1-hydroperoxy-1,2,3,4-tetrahydronaphthalene
現地名
1-ヒドロペルオキシ-1,2,3,4-テトラヒドロナフタレン
英語名
1,2,3,4-tetrahydro-1-naphthyl hydroperoxide
分子式
C10H12O2
分子量
164.2

名称と別名

Tetralin hydroperoxide771-29-9Tetralinhydroperoxid1,2,3,4-Tetrahydro-1-naphthyl hydroperoxideTetralinehydroperoxydeTetralinhydroperoxid [German]Hydroperoxide, 1,2,3,4-tetrahydro-1-naphthalenylTetralinehydroperoxyde [Dutch]Hydroperoxyde de tetralineIdroperossido di tetralinaHydroperoxyde de tetraline [French]EINECS 212-230-0
名称をさらに表示
テトラリン-1-イルヒドロペルオキシド1-ヒドロペルオキシテトラリン1,2,3,4-テトラヒドロナフタレン-1-イルヒドロペルオキシド1-ヒドロペルオキシ-1,2,3,4-テトラヒドロナフタレン1,2,3,4-テトラヒドロナフタレン-1-ペルオキソールTetralin hydroperoxide.1-hydroperoxy-1,2,3,4-tetrahydronaphthalene1,2,3,4-Tetrahydronaphthalen-1-yl hydroperoxide
Idroperossido di tetralina [Italian]CCRIS 8475AI3-12032Hydroperoxide, 1,2,3,4-tetrahydro-1-naphthyl-1,2,3,4-tetrahydro-1-naphthalenyl hydroperoxideTETRALIN HYDROPEROXIDE, (TECHNICALLY PURE)TETRALIN HYDROPEROXIDE, [TECHNICALLY PURE]1-HYDROPEROXYTETRALIN

物性

構造計算による物性

XLogP
1.9
極性表面積
29.5 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
1
重原子数
12
形式電荷
0
複雑度
147

実験および物理化学的性質

Physical DescriptionHydroperoxide formed by the oxidation of tetralin, a DuPont product, used as a turpentine replacement. The technical grade hydroperoxide is a liquid and will have a residual odor of benzene/menthol.

物理化学的性質

融点
56 °C · 56 °C
沸点
138 °C · 138 °C(Press: 16 Torr)
比重(密度)
1.16 · 1.16±0.1 g/cm3(Predicted)
酸解離定数(Pka)
11.3 · 11.30±0.20(Predicted)
EPAの化学物質情報
1 · Hydroperoxide, 1,2,3,4-tetrahydro-1-naphthalenyl (771-29-9)
化学的性質 · 1 件

化学的特性Hydroperoxide is formed by the oxidation of tetralin, a DuPont product, and used as a turpentine replacement. The technical grade hydroperoxide is a liquid and will have a residual odor of benzene/menthol. No rapid reaction occurs with air or water. Most alkyl monohydroperoxides are liquid, the explosivity of the lower members (e.g., methyl hydroperoxide or possibly due to traces of the dialkyl peroxides) decreasing with increasing chain length and branching. Tetralin hydroperoxide explodes on superheating the liquid. Its interaction with strong reducing agents, like lithium tetrahydroaluminate, is vigorously exothermic (13d).

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 · 6 件

Danger

H242: Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]

P210, P234, P235, P240, P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P391, P403, P405, P410, P411, P420, and P501 (click each P-code to see the statement)

Danger

H242: Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]

P210, P234, P235, P240, P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P391, P403, P405, P410, P411, P420, and P501 (click each P-code to see the statement)

危険有害性情報

Reactive GroupPeroxides, Organic
Reactivity AlertsExplosive
Reactivity Profile · 1 件

Most alkyl monohydroperoxides are liquid. The explosivity of the lower members (e.g., methyl hydroperoxide, or possibly due to traces of the dialkyl peroxides) decrease with increasing chain length and branching [Bretherick 2nd ed. 1979 p. 10]. Tetralin hydroperoxide explodes on superheating the liquid [Hock et al. Ber. 1933. pp. 66, 61]. Its interaction with strong reducing agents, like lithium tetrahydroaluminate, is vigorously exothermic.

Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and Categories · 2 件

Organic peroxide - type D

Org. Perox. D

安全データ

ridadr
3105

化学と産業

応用分野 · 2 件

使用Tetralin hydroperoxide has been prepared by the oxidation of tetralin in the presence of cobalt naphthenate, manganese stearate, and ceric stearate or naphthenate. Tetralin hydroperoxide, produced by the oxidation of tetralin, may be separated from reaction products by formation of its sodium salt. The kinetics of the liquid-phase oxidation of tetralin have been studied . Chen and Lin used tetralin hydroperoxide as an intermediate in the hydroxylation of tetralin to tetralol in rat liver homogenate.

一般的な説明Hydroperoxide formed by the oxidation of tetralin, a DuPont product, used as a turpentine replacement. The technical grade hydroperoxide is a liquid and will have a residual odor of benzene/menthol.

調製方法

純化方法Crystallise the tetralin hydroperoxide from hexane, toluene at -30o (m 54.0-54.5o). The oxygen content should be ~9.70%. [Knight & Swern Org Synth Coll Vol 1V 895 1963.]

上流・下流製品情報

下流製品

7-ニトロテトラリン-1-オン1,2,3,4-テトラヒドロ-1-ナフトール

サプライヤー2 社

陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

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化合物ノート

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このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

データベース識別子

CAS
26447-24-5、771-29-9
PubChem CID
69866
DTXSID
DTXSID90903935
UNII
L8YY2EH3YN
EC Number
212-230-0
Nikkaji
J36.952G
risk_code
7-22-34-50/53
hazard_code
O,C,N
safety_code
3/7-14-26-36/37/39-45-60-61
hazard_class
5.2
packing_group
II