1,1-ジメチルプロピルヒドロペルオキシド

tert-Amyl hydroperoxide

HCID 76962CAS 3425-61-4
部分構造検索類似構造を探す

基本情報

標準SMILES
CCC(C)(C)OO
InChIKey
XRXANEMIFVRKLN-UHFFFAOYSA-N
分子式
C5H12O2
平均分子量
104.15 g/mol
単同位体質量
104.08372962

名称と識別子

優先名称
tert-Amyl hydroperoxide
IUPAC
2-hydroperoxy-2-methylbutane
現地名
1,1-ジメチルプロピルヒドロペルオキシド
英語名
tert-Amyl hydroperoxide
分子式
C5H12O2
分子量
104.15

名称と別名

tert-Amyl hydroperoxide3425-61-4t-Amyl hydroperoxideTrigonox TAHPtert-Pentyl hydroperoxide1,1-Dimethylpropyl hydroperoxidetert-AmylhydroperoxideHydroperoxide, 1,1-dimethylpropyl8DSG8F2WBPtertiary-amyl hydroperoxideJ69.507FTAH 85
名称をさらに表示
tert-ペンチルヒドロペルオキシドtert-アミルヒドロペルオキシド1,1-ジメチルプロピルヒドロペルオキシド2-ヒドロペルオキシ-2-メチルブタン2-メチルブタン-2-ペルオキソールTAHP1-AMYLHYDROPEROXIDETert-amyhyl droperoxide2-hydroperoxy-2-methyl-butane
DTXSID6029256RefChem:891491DTXCID209256222-321-72-hydroperoxy-2-methylbutanetert-Amyl hydroperoxide, tech grade2-methylbutane-2-peroxolEINECS 222-321-7

データベース識別子

CAS
3425-61-4
PubChem CID
76962
DTXSID
DTXSID6029256
UNII
8DSG8F2WBP
EC Number
222-321-7
Nikkaji
J69.507F

物性

構造計算による物性

XLogP
1.1
極性表面積
29.5 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
2
重原子数
7

実験および物理化学的性質

Chemical ClassesOther Classes -> Peroxides, Organic
Physical DescriptionLiquid; CBI

物理化学的性質

融点
-70 °C · -70°C
沸点
135.3 °C · 135.3°C (rough estimate)
比重(密度)
0.905 · 0.905
蒸気圧
43.2 hPa · 43.2hPa at 25℃
屈折率
1.5 · 1.5000 (estimate)
闪点
41 ℃ · 41℃

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (97.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P234, P235, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, 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 131 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Hydroperoxide, 1,1-dimethylpropyl is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hydroperoxide, 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: 07-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5881

Hydroperoxide, 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.

Hazards Summary · 1 件

Causes changes in lung weight, methemoglobinemia, effects to cytochrome oxidases, general anesthesia, acute pulmonary edema, and hematuria in inhalation lethal-concentration and oral lethal-dose studies of rats and mice; [RTECS] See tert-Butyl hydroperoxide.

Hazard Classes and CategoriesFlam. Liq. 3 (97.7%)

毒性情報

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Toxicity DataLC50 (rat) = 1,510 mg/m3

安全データ

tsca
TSCA listed
ridadr
3107
毒性
LD50 orl-rat: 863 mg/kg 85GMAT -,21,82
hs_code
29096000
risk_code
7-11-52/53-68
safety_code
3/7-14-16-23-36/37/39-61

化学と産業

用途と製造

U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesPlasticizer
General Manufacturing Information · 2 件

CBI

Hydroperoxide, 1,1-dimethylpropyl: ACTIVE

応用分野

使用tert-AmylHydroperoxide is a free radical initiator; used in preparation of low-dielectric high-strength resin compound, prepreg and laminate.

上流・下流製品情報

サプライヤー26 社

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

関連反応

23 件
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