基本情報
- CAS
3025-88-5- 標準SMILES
CC(C)(CCC(C)(C)OO)OO- InChIKey
JGBAASVQPMTVHO-UHFFFAOYSA-N- 分子式
- C8H18O4
- 平均分子量
- 178.23 g/mol
- 単同位体質量
- 178.12050905
名称と識別子
- 優先名称
- 2,5-Dimethylhexane 2,5-dihydroperoxide
- IUPAC
- 2,5-dihydroperoxy-2,5-dimethylhexane
- 現地名
- 2,5-ジメチル-2,5-ビス(ヒドロペルオキシ)ヘキサン
- 英語名
- 2,5-DIMETHYLHEXANE-2,5-DIHYDROPEROXIDE
- 分子式
- C8H18O4
- 分子量
- 178.23
名称と別名
名称をさらに表示
データベース識別子
- CAS
3025-88-5- PubChem CID
- 520470
- DTXSID
DTXSID30871881- EC Number
- 221-184-0
- Nikkaji
- J3.045G
物性
構造計算による物性
- XLogP
- 0.9
- 極性表面積
- 58.9 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 5
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 115
物理化学的性質
- 融点
- 105 °C · 105 °C
- 沸点
- 230.46 °C · 230.46°C (rough estimate)
- 比重(密度)
- 1.0268 · 1.0268 (rough estimate)
- 屈折率
- 1.4209 · 1.4209 (estimate)
- 酸解離定数(Pka)
- 12.28 · 12.28±0.50(Predicted)
- EPAの化学物質情報
- 1 · Hydroperoxide, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis- (3025-88-5)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 8.9% (4 of 45) of reports.
Danger
H240 (86.7%): Heating may cause an explosion [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P280, P370+P372+P380+P373, P403, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 4 of 45 reports by companies.;There are 3 notifications provided by 41 of 45 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: Hydroperoxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis-
Hydroperoxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis-: 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.
DOT Hazard Classification
2,5-Dimethyl-2,5-dihydroperoxy hexane, with more than 82 percent with water
Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)
法規制情報
Regulatory Information
Chemical: Hydroperoxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis-
Hydroperoxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis-: 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.
安全データ
- tsca
- TSCA listed
- ridadr
- 3102
- hazard_class
- 5.2
- packing_group
- II
化学と産業
用途と製造
応用分野
一般的な説明White wet solid. May float or sink in water. 2,5-DIMETHYLHEXANE-2,5-DIHYDROPEROXIDE is particularly sensitive to temperature rises. Above a given "Control Temperature" they decompose violently. 2,5-DIMETHYLHEXANE-2,5-DIHYDROPEROXIDE is generally stored or transported in a water slurry.
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