基本情報
- CAS
2550-33-6- 標準SMILES
CCC(CC)C(=O)OOC(C)(C)C- InChIKey
KXYJPVZMZBJJBZ-UHFFFAOYSA-N- 分子式
- C10H20O3
- 平均分子量
- 188.26 g/mol
- 単同位体質量
- 188.1412445
概要
This peroxide is sensitive to heat. Storage of this material must be done so with stringent temperature control measures. Its explosion hazard is also mitigated by mixing the peroxide with an inert solid.
名称と識別子
- 優先名称
- Butaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 2-ethylbutaneperoxoate
- 現地名
- tert-ブチル(2-エチルブチリル)ペルオキシド
- 英語名
- tert-butyl 2-ethylperoxybutyrate
- 分子式
- C10H20O3
- 分子量
- 188.26
名称と別名
tert-Butyl 2-ethylperoxybutyrateButaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl esterEINECS 219-850-0DTXSID0074342TERT-BUTYL PEROXYDIETHYLACETATE, (TECHNICALLY PURE)TERT-BUTYL PEROXYDIETHYLACETATE, [TECHNICALLY PURE]TERT-BUTYL PEROXYDIETHYLACETATERefChem:571295DTXCID5037317219-850-0tert-butyl 2-ethylbutaneperoxoate2550-33-6
名称をさらに表示
2-エチルブタンペルオキシ酸1,1-ジメチルエチルtert-ブチル(2-エチルブチリル)ペルオキシドジエチルペルオキシ酢酸tert-ブチルtert-ブチル 2-エチルブタンペルオキソアート2-ethylperoxybutyric acid tert-butyl ester2-Ethylbutaneperoxoic acid 1,1-dimethylethyl ester
SCHEMBL3068632KXYJPVZMZBJJBZ-UHFFFAOYSA-NNS00027903
データベース識別子
- CAS
2550-33-6- PubChem CID
- 75694
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 35.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 6
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 154
実験および物理化学的性質
Physical DescriptionThis peroxide is sensitive to heat. Storage of this material must be done so with stringent temperature control measures. Its explosion hazard is also mitigated by mixing the peroxide with an inert solid.
物理化学的性質
- 沸点
- 209.1 · 209.1±23.0 °C(Predicted)
- 比重(密度)
- 0.923 · 0.923±0.06 g/cm3(Predicted)
- EPAの化学物質情報
- 2 · Butaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester (2550-33-6)
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
H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P264, P280, P302+P352, P321, P332+P317, P362+P364, P370+P378, P403, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 60 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
DOT LabelOrganic Peroxide
Fire HazardsExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
Health HazardsExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
Reactive GroupPeroxides, Organic
Reactivity AlertsExplosive
Reactivity ProfileTERT-BUTYL PEROXYDIETHYLACETATE explodes with great violence when rapidly heated to a critical temperature; pure form is shock sensitive and detonable [Bretherick 1979 p. 602].
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and CategoriesOrg. Perox. C (100%)
化学と産業
用途と製造
General Manufacturing InformationButaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester: ACTIVE
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