(1,3-Phenylenebis(1-methylethylidene))bis(tert-butyl) peroxide

HCID 16654

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Basic information

CAS: 2212-81-9
Standard SMILES: CC(C)(C)OOC(C)(C)c1cccc(C(C)(C)OOC(C)(C)C)c1
InChIKey: UBRWPVTUQDJKCC-UHFFFAOYSA-N
Molecular formula: C20H34O4
Average molar mass: 338.5 g/mol
Monoisotopic mass: 338.24570957

Overview

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Names & identifiers

Preferred name: (1,3-Phenylenebis(1-methylethylidene))bis(tert-butyl) peroxide
IUPAC: 1,3-bis(2-tert-butylperoxypropan-2-yl)benzene
English name: DI(TERT-BUTYLPEROXYISOPROPYL)BENZENE
Molecular formula: C20H34O4
Molecular weight: 338.49

Names & synonyms

1,3-BIS(TERT-BUTYLPEROXYISOPROPYL)BENZENEEINECS 218-664-7EC 218-664-7(1,3-Phenylenebis(1-methylethylidene))bis(tert-butyl) peroxide[1,3-phenylenebis(1-methylethylidene)]bis[tert-butyl] peroxideRefChem:391412218-664-72212-81-91,3-bis(2-tert-butylperoxypropan-2-yl)benzene1,3-bis(t-butylperoxyisopropyl)benzenePeroxide,1,1'-[1,3-phenylenebis(1-methylethylidene)]bis[2-(1,1-dimethylethyl)1,1'-[1,3-Phenylenebis(1-methylethylidene)]bis[2-(1,1-dimethylethyl) peroxide]

Show more names

BIBPBis(t-butylperoxy isopropyl)benzene14sPEROXAN BIBLuperox 802Perbutyl PTPeroximon FPerkadox?14Sperkadox®

PERKADOX 14/401,3-Di(tert-butylperoxyisopropyl)benzene1,3-Bis(1-tert-butyldioxy-1-methylethyl)benzeneSCHEMBL446431,3-bis[2-(tert-butylperoxy)propan-2-yl]benzeneDTXSID508628725C532BF77V1,3-Di-tert-butylperoxydiisopropylbenzene

Database identifiers

CAS: 2212-81-9
PubChem CID: 16654
DTXSID: DTXSID50862872
UNII: 5C532BF77V
EC Number: 218-664-7
Nikkaji: J155.571E

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 36.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 351

Physicochemical properties

Melting point: 43 · 43-49 °C
Boiling point: 360 · 360 ºC
Density: 0.974 · 0.974
vapor pressure: 0 Pa · 0Pa at 20℃
refractive index: 1.6 · 1.6000 (estimate)
Flash point: 113 · 113 ºC
storage temp.: Refrigerator (+4°C)
Water Solubility: 40 μg/L · 40μg/L at 20℃
InChI: InChI=1S/C20H34O4/c1-17(2,3)21-23-19(7,8)15-12-11-13-16(14-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3
InChIKey: UBRWPVTUQDJKCC-UHFFFAOYSA-N
SMILES: C(C1C=CC=C(C(C)(C)OOC(C)(C)C)C=1)(C)(C)OOC(C)(C)C
LogP: 7.3 at · 7.3 at 20℃
CAS DataBase Reference: 2212 · 2212-81-9
Symbol(GHS): 2 · GHS02
Signal word: Danger
Hazard statements: 242 · H242-H413
Precautionary statements: 210 · P210-P220-P234-P280-P370+P378-P403+P235-P411-P420-P501
Hazard Codes: Xi-O
Risk Statements: 7 · 7-36
Safety Statements: 36 · 36/37/39-3/7-26-14A
RIDADR: 3106 · 3106
HazardClass: 5.2 · 5.2
PackingGroup: II
HS Code: 29096000 · 29096000
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]

P210, P234, P235, P240, P273, P280, P370+P378, P403, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 20 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 25-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11708

Hazard Classes and CategoriesOrg. Perox. D (100%)

Safety data

ridadr: 3106
hs_code: 29096000
risk_code: 7-36
Signal word: Danger
Symbol(GHS): GHS02
hazard_code: Xi-O
safety_code: 36/37/39-3/7-26-14A
hazard_class: 5.2
packing_group: II
Hazard statements: H242-H413
REACH Registrations: Active
Precautionary statements: P210-P220-P234-P280-P370+P378-P403+P235-P411-P420-P501