ビス(1,1-ジメチルプロピル)ペルオキシド

Di-tert-amyl peroxide

HCID 25320CAS 10508-09-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CCC(C)(C)OOC(C)(C)CC
InChIKey: JJRDRFZYKKFYMO-UHFFFAOYSA-N
分子式: C10H22O2
平均分子量: 174.28 g/mol
単同位体質量: 174.16197994

名称と識別子

優先名称: Di-tert-amyl peroxide
IUPAC: 2-methyl-2-(2-methylbutan-2-ylperoxy)butane
現地名: ビス(1,1-ジメチルプロピル)ペルオキシド
英語名: Di-tert-amyl peroxide
分子式: C10H22O2
分子量: 174.28

名称と別名

Di-tert-amyl peroxide10508-09-5Di-tert-pentyl peroxidePeroxide, bis(1,1-dimethylpropyl)PEROXIDE, DI-tert-PENTYL-T4HBL5JPXKEINECS 234-042-8BRN 1738675EC 234-042-8RefChem:586091234-042-8Bis(1,1-dimethylpropyl) peroxide

名称をさらに表示

ビス(1,1-ジメチルプロピル)ペルオキシドジ-tert-アミルペルオキシドビス(tert-アミル)ペルオキシドLuperox DTATrigonox 201DIAMYLPEROXIDEtert-Pentyl peroxidedi-tert-pentyl-peroxidBis(tert-amyl) peroxide

2-methyl-2-(2-methylbutan-2-ylperoxy)butanetert-amyl peroxideUNII-T4HBL5JPXKdi-t-amyl peroxidedi-tert-amylperoxideDi-tert.-pentylperoxiddi-tert.-amyl peroxidedi-tertiary-amyl peroxide

データベース識別子

CAS: 10508-09-5
PubChem CID: 25320
DTXSID: DTXSID9051533
UNII: T4HBL5JPXK
EC Number: 234-042-8
Nikkaji: J116.170I

物性

構造計算による物性

XLogP: 3.1
極性表面積: 18.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 12
形式電荷: 0
複雑度: 112

実験および物理化学的性質

Food Contact Substances · 2 件

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Physical DescriptionLiquid

物理化学的性質

融点: -55 °C · -55°C
沸点: 146 °C · 146 °C(lit.)
比重(密度): 0.818 g/mL · 0.818 g/mL at 25 °C(lit.)
蒸気圧: 14.7 hPa · 14.7hPa at 25℃
屈折率: 20 · n20/D 1.409(lit.)
闪点: 77 °F · 77 °F
水溶解度: 13.83 mg/L · 13.83mg/L at 20℃
InChI: InChI=1S/C10H22O2/c1-7-9(3,4)11-12-10(5,6)8-2/h7-8H2,1-6H3
InChIKey: JJRDRFZYKKFYMO-UHFFFAOYSA-N
SMILES: O(C(C)(C)CC)OC(C)(C)CC
LogP: 4.7 at · 4.7 at 25℃
NISTの化学物質情報: (CH3)2C(C2H5)OOC(CH3)2C2H5(10508-09-5)
EPAの化学物質情報: Peroxide, bis(1,1-dimethylpropyl) (10508-09-5)

化学的性質

化学的特性Colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (57.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P234, P235, P240, P241, P242, P243, P264, P270, P273, P280, P301+P317, P302+P352, P303+P361+P353, P318, P321, P330, P332+P317, P362+P364, P370+P378, P391, P403, P403+P235, P405, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 331 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Peroxide, bis(1,1-dimethylpropyl)

Peroxide, bis(1,1-dimethylpropyl) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Peroxide, bis(1,1-dimethylpropyl) 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: 18-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/15822

Peroxide, bis(1,1-dimethylpropyl): 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.

Hazard Classes and CategoriesFlam. Liq. 2 (57.7%)

安全データ

wgk: 2
tsca: TSCA listed
rtecs: SD8300000
ridadr: UN 3107 5.2
毒性: mouse,LD50,oral,1450mg/kg (1450mg/kg),"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 263, 1986.
hs_code: 29096000
risk_code: 8-22-38-7
hazard_code: O,Xn
safety_code: 7-16-17-36/37/39-47-14
hazard_class: 5.2
packing_group: II

化学と産業

用途と製造

U.S. Production2023: 500,000 - <1,000,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesPlasticizer

General Manufacturing Information · 2 件

Plastics Product Manufacturing

Peroxide, bis(1,1-dimethylpropyl): ACTIVE

応用分野

説明Di-tert-amyl peroxide (DTAP) is a slightly yellowish, mobile liquid. This liquid dialkyl peroxide is used as an initiator (radical source) in the polymerisation of monomers, like e.g. ethylene, styrene, and (meth)acrylates.