ピバロイルtert-ブチルペルオキシド
tert-BUTYL PEROXYPIVALATE
基本情報
- CAS
927-07-1- 標準SMILES
CC(C)(C)OOC(=O)C(C)(C)C- InChIKey
OPQYOFWUFGEMRZ-UHFFFAOYSA-N- 分子式
- C9H18O3
- 平均分子量
- 174.24 g/mol
- 単同位体質量
- 174.12559444
概要
Tert-butyl peroxypivalate is a colorless liquid that solidifies below -19 °C. Decomposes at 70 °C. Flammable and a dangerous fire risk. Heating may cause explosion. Used as a polymerization initiator.
名称と識別子
- 優先名称
- tert-BUTYL PEROXYPIVALATE
- IUPAC
- tert-butyl 2,2-dimethylpropaneperoxoate
- 現地名
- ピバロイルtert-ブチルペルオキシド
- 英語名
- tert-Butyl peroxypivalate
- 分子式
- C9H18O3
- 分子量
- 174.24
名称と別名
tert-Butyl peroxypivalatet-Butyl peroxypivalatetert-butyl 2,2-dimethylpropaneperoxoateTrigonox 25-C75t-butyl perpivalatePROPANEPEROXOIC ACID, 2,2-DIMETHYL-, 1,1-DIMETHYLETHYL ESTEREINECS 213-147-2BRN 1704745M0P448E3Y6PIVALOYL TERT-BUTYL PEROXIDEDTXSID2027339EC 213-147-2
名称をさらに表示
ペルオキシピバル酸tert-ブチル(2,2-ジメチルプロパノイル)tert-ブチルペルオキシドtert-ブチルペルオキシピバラートルペルソール11トリメチル過酢酸tert-ブチルトリゴノックス25/752,2-ジメチルプロパンペルオキシ酸tert-ブチルエスペロックス31Mtert-ブチルパーピバレートピバロイルtert-ブチルペルオキシド2,2-ジメチルペルオキシプロピオン酸tert-ブチルｔ－ブチルペルオキシピバレートtブチルパ-オキシピバレ-トt-ブチルパーオキシピバレートｔブチルペルオキシピバレトtert-ブチル＝2，2-ジメチルペルオキシプロパノアートtert-ブチル 2,2-ジメチルプロパンペルオキソアート2,2-ジメチル過プロピオン酸tert-ブチルt-ブチルパーピバレートesperox31mlupersol11trigonox25/75trigonox25-c75InitiatingagentPV75%inmineralspiritbutyl peroxypivalatet-butylperoxypivalatet-butylperoxypyvalate
BUTYL PEROXYPIVALATE, TERT-4-02-00-00912 (Beilstein Handbook Reference)TERT-BUTYL TERT-VALERYL PEROXIDETERT-BUTYL 2,2-DIMETHYLPEROXYPROPIONATETERT-BUTYL PEROXYPIVALATE, (<= 77% IN SOLUTION)TERT-BUTYL PEROXYPIVALATE, [<= 77% IN SOLUTION]KAYAESTER PPERBUTYL PV
データベース識別子
- CAS
927-07-1- PubChem CID
- 61238
- DTXSID
DTXSID2027339- UNII
- M0P448E3Y6
- EC Number
- 213-147-2
- Nikkaji
- J2.119I
物性
構造計算による物性
- XLogP
- 2.5
- 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
- 4
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 160
実験および物理化学的性質
Chemical ClassesFlammable agents - 3rd degree
SpringerMaterials PropertiesChemical shift
Physical Description
Tert-butyl peroxypivalate is a colorless liquid that solidifies below -19 °C. Decomposes at 70 °C. Flammable and a dangerous fire risk. Heating may cause explosion. Used as a polymerization initiator.
CBI; Liquid
物理化学的性質
- 融点
- -17 °C · -17°C
- 沸点
- 245.22 °C · 245.22°C (rough estimate)
- 比重(密度)
- 0.854 · 0.854
- 蒸気圧
- 4.02 hPa · 4.02hPa at 38℃
- 屈折率
- 1.41 · 1.410
- 闪点
- 68 · 68~71℃
- 水溶解度
- 不溶性
- InChI
- InChI=1S/C9H18O3/c1-8(2,3)7(10)11-12-9(4,5)6/h1-6H3
- InChIKey
- OPQYOFWUFGEMRZ-UHFFFAOYSA-N
- SMILES
- C(OOC(C)(C)C)(=O)C(C)(C)C
- LogP
- 3.17 at · 3.17 at 25℃
- EPAの化学物質情報
- 2 · Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester (927-07-1)
化学的性質
化学的特性Colorless liquid. Insoluble in water and ethylene glycol; soluble in most organic solvents.
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 (91%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P319, P321, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403, P403+P233, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 177 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester
Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester 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)
Status: Active Update: 31-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14312
Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester: 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.
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
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 PEROXYPIVALATE explodes with great violence when rapidly heated to a critical temperature. Shock sensitive and detonable when pure [Bretherick 1979 p. 602].
Air and Water ReactionsInsoluble in water.
Hazard Classes and Categories
Org. Perox. C (91%)
Flammable agents - 3rd degree, Reactive agents - 3rd degree
安全と保護具
Fire FightingExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
First AidExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
Nonfire Spill ResponseExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
Isolation and EvacuationExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
安全データ
- tsca
- TSCA listed
- ridadr
- UN 2110
- hazard_class
- 5.2
- packing_group
- II
化学と産業
用途と製造
U.S. Production2023: 2,500,000 - <4,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
General Manufacturing Information
Plastics Product Manufacturing
Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester: ACTIVE
応用分野
説明Tert-Butyl Peroxypivalate is a flammable and reactive chemical and a dangerous fire and explosion hazard. Tert-Butyl Peroxypivalate is a colorless to light yellow liquid. It is used as a low-temperature initiator for polymerising Ethylene, Vinyl Chloride, and other compounds.
使用Polymerization initiator.
一般的な説明Colorless liquid that solidifies below -19°C Decomposes at 70°C. Flammable and a dangerous fire risk. Heating may cause explosion. Used as a polymerization initiator.
上流・下流製品情報
上流原料
関連反応
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化合物ノート
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