過酢酸1,1-ジメチルエチル
tert-Butyl peroxyacetate
基本情報
- CAS
107-71-1- 標準SMILES
CC(=O)OOC(C)(C)C- InChIKey
SWAXTRYEYUTSAP-UHFFFAOYSA-N- 分子式
- C6H12O3
- 平均分子量
- 132.16 g/mol
- 単同位体質量
- 132.07864424
概要
This liquid 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
- tert-Butyl peroxyacetate
- IUPAC
- tert-butyl ethaneperoxoate
- 現地名
- 過酢酸1,1-ジメチルエチル
- 英語名
- tert-Butyl peroxyacetate
- 分子式
- C6H12O3
- 分子量
- 132.16
名称と別名
tert-Butyl peroxyacetatetert-Butyl peracetatet-Butyl peracetateLupersol 70t-Butyl peroxyacetateTrigonox F-C50ETHANEPEROXOIC ACID, 1,1-DIMETHYLETHYL ESTERPeroxyacetic acid, tert-butyl esterUNII-FJ3F3S50CSFJ3F3S50CSEINECS 203-514-5NSC 118417
名称をさらに表示
ペルオキシ酢酸tert-ブチルtert-ブチルペルアセタート過酢酸1,1-ジメチルエチル過酢酸tert-ブチルルペルソル70過酢酸－ｔ－ブチルアルキルパ-エステル類t-ブチルパーオキシアセテート酢酸ｔブチルtert-ブチル＝ペルオキシアセタートtert-butyltert-Butyl ethaneperoxoateTrigonox?Flupersol70LUPEROX 7M50LUPEROX 7M75trigonoxf-c50Butylperacetate
BRN 1701510NSC-1184174-02-00-00391 (Beilstein Handbook Reference)BUTYL PERACETATE, TERT-DTXSID9029142ACETYL TERT-BUTYL PEROXIDEBUTYL PEROXYACETATE, TERT. (TERT-BUTYL\PERACETATE)BUTYL PEROXYACETATE, TERT. {TERT-BUTYL\PERACETATE}
データベース識別子
- CAS
107-71-1- PubChem CID
- 61019
- DTXSID
DTXSID9029142- UNII
- FJ3F3S50CS
- EC Number
- 203-514-5
- Nikkaji
- J2.858D
物性
構造計算による物性
- XLogP
- 1.1
- 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
- 3
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 101
実験および物理化学的性質
Chemical Classes
Other Classes -> Peroxides, Organic
Flammable agents - 3rd degree
SpringerMaterials PropertiesChemical shift
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
This liquid 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.
Liquid
Liquid; [CAMEO] Solution in 10-30% aliphatic hydrocarbons (Stoddard type): Light yellow liquid with a pungent odor; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- -20 °C · -20 °C
- 沸点
- 184.08 °C · 184.08°C (rough estimate)
- 比重(密度)
- 0.828 g/mL · 0.828 g/mL at 25 °C
- 蒸気圧
- 1.966 Pa · 1.966Pa at 25℃
- 屈折率
- 20 · n20/D 1.412
- 闪点
- 99 °F · 99 °F
- 貯蔵温度
- Refrigerator (+4°C) + Flammables area
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 (19.4%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P234, P235, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P330, P333+P317, P337+P317, P362+P364, 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 629 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H201: (Deleted) Explosive; mass explosion hazard [Danger Explosives]
危険有害性情報
Regulatory Information
Chemical: Ethaneperoxoic acid, 1,1-dimethylethyl ester
Ethaneperoxoic acid, 1,1-dimethylethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethaneperoxoic acid, 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/22656
Ethaneperoxoic acid, 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 Explosive
Fire HazardsExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Health HazardsExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
化学と産業
用途と製造
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
General Manufacturing Information
Plastics Product Manufacturing
Ethaneperoxoic acid, 1,1-dimethylethyl ester: ACTIVE
応用分野
用途酸化剤、重合開始剤
使用Polymerization initiator for vinyl monomers, manufacture of polyethylene and polystyrene.
一般的な説明tert-Butyl peroxyacetate is sensitive to heat. Storage of tert-Butyl peroxyacetate must be done so with stringent temperature control measures. It's explosion hazard is also mitigated by mixing the peroxide with an inert solid.
調製方法
純化方法Wash the ester with NaHCO3 from a *benzene solution, then redistil to remove *benzene [Kochi J Am Chem Soc 84 774 1962]. Handle with adequate protection due to possible EXPLOSIVE nature. [Beilstein 2 IV 391.]
上流・下流製品情報
上流原料
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