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Bis(tert-butyldioxyisopropyl)benzene

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Name

Bis(tert-butyldioxyisopropyl)benzene

EINECS 246-678-3
CAS No. 25155-25-3 Density 1.63 g/mL at 25 °C(lit.)
PSA 36.92000 LogP 5.65020
Solubility H2O<0.1 g/100 mL at 21 °C Melting Point 44-48 °C(lit.)
Formula C20H34O4 Boiling Point 374.8 °C at 760 mmHg
Molecular Weight 338.54 Flash Point 137.3 °C
Transport Information UN 3106 Appearance White crystalline solid
Safety 17-36-26-36/37/39-3/7-14 Risk Codes 8-36/37-20-7
Molecular Structure Molecular Structure of 25155-25-3 (Bis(tert-butyldioxyisopropyl)benzene) Hazard Symbols OxidizingO, HarmfulXn
Synonyms

Peroxide,(phenylenediisopropylidene)bis[tert-butyl (7CI,8CI);Peroxide, [1,3(or1,4)-phenylenebis(1-methylethylidene)]bis[(1,1-dimethylethyl) (9CI);2,2'-Bis(tert-butylperoxy)diisopropylbenzene;Bis(tert-butylperoxy)diisopropylbenzene;Bis(tert-butylperoxyisopropyl)benzene;Bis[a-(tert-butylperoxy)isopropyl]benzene;Di-tert-butylperoxy diisopropylbenzene;E(VC)D 40;F 40ED;F 80;F 80 (peroxide);Interox DIPP 40IC/G;Luperox 802;Luperox 802PP40;Luperox F 40;Luperox F 40ED;Luperox F40KEP;Luperox F 40M-SP;Luperox F 40MF;Luperox F 40P-SP;Luperox F 90P;Perhexa F 40;Perkadox 14;Perkadox14-40B;Perkadox 14-40B-PD;Perkadox 14R;Perkadox 14S;Perkadox 14S-FL;Perkadox 14SFI;Peroxan BIB;Peroximon F 40;Peroximon F 40KEP;Peroximon F 40MG;Peroximon PK;Polydispersion T-VC-D 40P;Px 14;Retilox F;Trigonox 265-50B;Varox 802-402KE;Varox802-40CST;Varox 802-40KE;Vul-Cup 40KE;Vul-Cup 40SI;Vul-Cup KD 60;Vul-Cup R;a,a'-Bis(tert-butylperoxy)diisopropylbenzene;

 

Bis(tert-butyldioxyisopropyl)benzene Consensus Reports

Reported in EPA TSCA Inventory.

Bis(tert-butyldioxyisopropyl)benzene Specification

The Bis(tert-butyldioxyisopropyl)benzene, with the CAS registry number 25155-25-3, is also known as (Phenylenediisopropylidene)bis(tert-butylperoxide). It belongs to the product category of Organics. Its EINECS registry number is 246-678-3. This chemical's molecular formula is C20H34O4 and molecular weight is 338.48156. Its IUPAC name is called 1,4-bis(2-tert-butylperoxypropan-2-yl)benzene. This chemical's classification code is Skin / Eye Irritant.

Physical properties of Bis(tert-butyldioxyisopropyl)benzene: (1)ACD/LogP: 6.66; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.66; (4)ACD/LogD (pH 7.4): 6.66; (5)ACD/BCF (pH 5.5): 67765.47; (6)ACD/BCF (pH 7.4): 67765.47; (7)ACD/KOC (pH 5.5): 99911.77; (8)ACD/KOC (pH 7.4): 99911.77; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 8; (11)Index of Refraction: 1.474; (12)Molar Refractivity: 97.73 cm3; (13)Molar Volume: 347.3 cm3; (14)Surface Tension: 29.6 dyne/cm; (15)Density: 0.974 g/cm3; (16)Flash Point: 137.3 °C; (17)Enthalpy of Vaporization: 59.78 kJ/mol; (18)Boiling Point: 374.8 °C at 760 mmHg; (19)Vapour Pressure: 1.76E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing. Finally, you must avoid contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OOC(C)(C)C1=CC=C(C=C1)C(C)(C)OOC(C)(C)C
(2)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
(3)InChIKey: GWQOYRSARAWVTC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LC inhalation > 180mg/m3/6H (180mg/m3)   Hercules Inc., Hercules Bulletin. Vol. PRC-304,
mouse LC inhalation > 180mg/m3/6H (180mg/m3)   Hercules Inc., Hercules Bulletin. Vol. PRC-304,
rat LC inhalation > 180mg/m3/6H (180mg/m3)   Hercules Inc., Hercules Bulletin. Vol. PRC-304,
rat LD50 oral > 23gm/kg (23000mg/kg)   Hercules Inc., Hercules Bulletin. Vol. PRC-304,

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