1,1-ジメチルプロピルヒドロペルオキシド
tert-Amyl hydroperoxide
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基本情報
- CAS
3425-61-4- 標準SMILES
CCC(C)(C)OO- InChIKey
XRXANEMIFVRKLN-UHFFFAOYSA-N- 分子式
- C5H12O2
- 平均分子量
- 104.15 g/mol
- 単同位体質量
- 104.08372962
名称と識別子
- 優先名称
- tert-Amyl hydroperoxide
- IUPAC
- 2-hydroperoxy-2-methylbutane
- 現地名
- 1,1-ジメチルプロピルヒドロペルオキシド
- 英語名
- tert-Amyl hydroperoxide
- 分子式
- C5H12O2
- 分子量
- 104.15
名称と別名
tert-Amyl hydroperoxide3425-61-4t-Amyl hydroperoxideTrigonox TAHPtert-Pentyl hydroperoxide1,1-Dimethylpropyl hydroperoxidetert-AmylhydroperoxideHydroperoxide, 1,1-dimethylpropyl8DSG8F2WBPtertiary-amyl hydroperoxideJ69.507FTAH 85
名称をさらに表示
tert-ペンチルヒドロペルオキシドtert-アミルヒドロペルオキシド1,1-ジメチルプロピルヒドロペルオキシド2-ヒドロペルオキシ-2-メチルブタン2-メチルブタン-2-ペルオキソールTAHP1-AMYLHYDROPEROXIDETert-amyhyl droperoxide2-hydroperoxy-2-methyl-butane
DTXSID6029256RefChem:891491DTXCID209256222-321-72-hydroperoxy-2-methylbutanetert-Amyl hydroperoxide, tech grade2-methylbutane-2-peroxolEINECS 222-321-7
データベース識別子
- CAS
3425-61-4- PubChem CID
- 76962
- DTXSID
DTXSID6029256- UNII
- 8DSG8F2WBP
- EC Number
- 222-321-7
- Nikkaji
- J69.507F
物性
構造計算による物性補完中
- XLogP
- 1.1
- 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
- 2
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 50
実験および物理化学的性質
Chemical ClassesOther Classes -> Peroxides, Organic
Physical DescriptionLiquid; CBI
物理化学的性質
- 融点
- -70 °C · -70°C
- 沸点
- 135.3 °C · 135.3°C (rough estimate)
- 比重(密度)
- 0.905 · 0.905
- 蒸気圧
- 43.2 hPa · 43.2hPa at 25℃
- 屈折率
- 1.5 · 1.5000 (estimate)
- 闪点
- 41 ℃ · 41℃
- 酸解離定数(Pka)
- 12.71 · 12.71±0.50(Predicted)
- 外見
- 液体または気体
- 臭い (Odor)
- きれいな水-液。またはガス、鋭い臭気
- 水溶解度
- 63.25 g/L · 63.25g/L at 20℃
- InChI
- InChI=1S/C5H12O2/c1-4-5(2,3)7-6/h6H,4H2,1-3H3
- InChIKey
- XRXANEMIFVRKLN-UHFFFAOYSA-N
- SMILES
- C(OO)(C)(C)CC
- LogP
- 2.9 · 2.9
- EPAの化学物質情報
- tert-Amyl hydroperoxide (3425-61-4)
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
Danger
H226 (97.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P234, P235, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P370+P378, P391, P403, P403+P233, P403+P235, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 131 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Hydroperoxide, 1,1-dimethylpropyl is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hydroperoxide, 1,1-dimethylpropyl are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: tert-pentyl hydroperoxide (EC: 222-321-7)
Hydroperoxide, 1,1-dimethylpropyl: 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.
Hazards Summary
Causes changes in lung weight, methemoglobinemia, effects to cytochrome oxidases, general anesthesia, acute pulmonary edema, and hematuria in inhalation lethal-concentration and oral lethal-dose studies of rats and mice; [RTECS] See tert-Butyl hydroperoxide.
Hazard Classes and CategoriesFlam. Liq. 3 (97.7%)
毒性情報
Adverse EffectsNeurotoxin - Other CNS neurotoxin
化学と産業
用途と製造
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesPlasticizer
General Manufacturing Information
CBI
Hydroperoxide, 1,1-dimethylpropyl: ACTIVE
応用分野
使用tert-AmylHydroperoxide is a free radical initiator; used in preparation of low-dielectric high-strength resin compound, prepreg and laminate.
上流・下流製品情報
下流製品
関連反応
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