基本情報
- 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
名称をさらに表示
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
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
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.)
Hazard Classes and Categories
Org. Perox. C (91%)
Flammable agents - 3rd degree, Reactive agents - 3rd degree
安全と保護具
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
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
サプライヤー41 社
関連反応
関連ノート
読み込み中…