過酢酸1,1-ジメチルエチル

tert-Butyl peroxyacetate

HCID 61019CAS 107-71-1

基本情報

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

実験および物理化学的性質

Chemical Classes · 2 件

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 · 3 件

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

化学的性質

化学的特性clear solution

安全と法規制

GHS分類

GHS Classification · 6 件

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 · 5 件

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)]:
Hazards Summary · 1 件

A strong oxidizer that may cause fire or explosion on contact with combustible materials; Explosive and sensitive to heat and shock; [CAMEO] A moderate eye irritant; Causes respiratory depression, GI bleeding, abnormal liver function results, and effects on spermatogenesis in acute inhalation studies (species not specified); Causes abnormal recording from peripheral motor nerves, proteinuria, hemolysis, and effects on spermatogenesis and male reproductive organs in acute inhalation studies of rats; [RTECS] Solution in 10-30% aliphatic hydrocarbons (Stoddard type, CAS# 8052-41-3): Organic peroxide that may cause fire or explode on heating; A skin and strong eye irritant; Harmful by ingestion; Possible carcinogen and mutagen; [Sigma-Aldrich MSDS] See Peroxybenzoic acid, t-butyl ester and Diisopropyl peroxydicarbonate.

Reactive GroupPeroxides, Organic

安全と保護具

Fire FightingExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
First AidExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Nonfire Spill ResponseExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Isolation and EvacuationExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:

毒性情報

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Toxicity DataLC33 (rat) = 8,200 mg/m3/4hr

安全データ

wgk
2
tsca
TSCA listed
rtecs
SD8925000
ridadr
UN 3103 5.2
hs_code
29159000
risk_code
23/24/25-36/37/38-40-65-22-10-7-45-46

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 · 2 件

Plastics Product Manufacturing

Ethaneperoxoic acid, 1,1-dimethylethyl ester: ACTIVE

応用分野 · 3 件

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.]

サプライヤー50 社

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司18171205315; 18171205315 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]

関連反応

7 件

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