基本情報
- CAS
25155-25-3- 標準SMILES
CC(C)(C)OOC(C)(C)c1ccccc1C(C)(C)OOC(C)(C)C- InChIKey
CCNDOQHYOIISTA-UHFFFAOYSA-N- 分子式
- C20H34O4
- 平均分子量
- 338.5 g/mol
- 単同位体質量
- 338.24570956
概要
Bis(tert-butyldioxyisopropyl)benzene is a white crystalline solid. (NTP, 1992)
名称と識別子
- 優先名称
- Bis(tert-butyldioxyisopropyl)benzene
- IUPAC
- 1,2-bis(2-tert-butylperoxypropan-2-yl)benzene
- 現地名
- 1,4-ビス[(t-ブチルパーオキシ)イソプロピル]ベンゼン
- 英語名
- Bis(tert-butyldioxyisopropyl)benzene
- 分子式
- C20H34O4
- 分子量
- 338.48
名称と別名
名称をさらに表示
データベース識別子
- CAS
25155-25-3- PubChem CID
- 11856263
- Nikkaji
- J155.570G
物性
構造計算による物性
- XLogP
- 4.5
- 極性表面積
- 36.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 8
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 349
実験および物理化学的性質
物理化学的性質
- 融点
- 44 · 44-48 °C(lit.)
- 沸点
- 434.61 °C · 434.61°C (rough estimate)
- 比重(密度)
- 1.63 g/mL · 1.63 g/mL at 25 °C(lit.)
- 蒸気圧
- 0 Pa · 0Pa at 20℃
- 屈折率
- 1.6 · 1.6000 (estimate)
- 闪点
- 230 °F · >230 °F
- 色
- 黄色
- 水溶解度
- 0.1 g/100 · <0.1 g/100 mL で 21 ºC
- InChI
- InChI=1S/C20H34O4/c1-17(2,3)21-23-19(7,8)15-11-13-16(14-12-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3
- InChIKey
- GWQOYRSARAWVTC-UHFFFAOYSA-N
- SMILES
- C1(=CC=C(C(C)(C)OOC(C)(C)C)C=C1)C(C)(C)OOC(C)(C)C
- LogP
- 7.3 at · 7.3 at 20℃
- CAS データベース
- 25155 · 25155-25-3(CAS DataBase Reference)
- EPAの化学物質情報
- (Phenylenediisopropylidene)bis(tert-butylperoxide) (25155-25-3)
安全と法規制
危険有害性情報
安全と保護具
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- SD8431900
- ridadr
- UN 3106 5.2
- 毒性
- skn-rbt 100%/24H MLD HERBU* PRC-304
- risk_code
- 8-36/37-20-7-53
- hazard_code
- O,Xn
- safety_code
- 17-36-26-36/37/39-3/7-14
- hazard_class
- 5.2
- packing_group
- II
化学と産業
応用分野
一般的な説明White crystalline solid.
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