1,1'-(1,4-Phenylenebis(1-methylethylidene))bis(hydroperoxide)

HCID 201059CAS 3159-98-6
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(OO)c1ccc(C(C)(C)OO)cc1
InChIKey
REGMWDPZVFOJLY-UHFFFAOYSA-N
Molecular formula
C12H18O4
Average molar mass
226.27 g/mol
Monoisotopic mass
226.12050906

Names & identifiers

Preferred name
1,1'-(1,4-Phenylenebis(1-methylethylidene))bis(hydroperoxide)
IUPAC
1,4-bis(2-hydroperoxypropan-2-yl)benzene
English name
1,4-bis(2-hydroperoxypropan-2-yl)benzene
Molecular formula
C12H18O4
Molecular weight
226.27

Names & synonyms

3159-98-6Hydroperoxide, (1,4-phenylenebis(1-methylethylidene))bis-DTXSID10185478RefChem:408996DTXCID201079691,1'-(1,4-Phenylenebis(1-methylethylidene))bis(hydroperoxide)1,4-bis(2-hydroperoxypropan-2-yl)benzenep-Bis(hydroperoxyisopropyl)benzenePercumyl Pp-Diisopropylbenzene dihydroperoxideBRN 2052060(p-Phenylenediisopropylidene)dihydroperoxide
Show more names
RMA-535Butylhydroxyanisole Impurity 12Hydroperoxide, 1,1'-[1,4-phenylenebis(1-methylethylidene)]bis-
(1,4-Phenylenebis(1-methylethylidene))bishydroperoxideHydroperoxide, (p-phenylenediisopropylidene)di-4-06-00-06056 (Beilstein Handbook Reference)SCHEMBL5943678REGMWDPZVFOJLY-UHFFFAOYSA-NNS000291452,2'-(1,4-Phenylene)di(propane-2-peroxol)1,4-bis-(1-hydroperoxy-1-methylethyl)-benzene

Database identifiers

CAS
3159-98-6
PubChem CID
201059
DTXSID
DTXSID10185478
EC Number
608-649-7、922-776-8
Nikkaji
J472.943I

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
58.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
16

Physicochemical properties

Melting point
141 °C · 141 °C
Boiling point
403.245 · 403.245±38.00 °C(Press: 760.00 Torr)(predicted)
Density
1.145 · 1.145±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
11.924 · 11.924±0.30(predicted)
Symbol(GHS)
7 · GHS07,GHS02
Signal word
Danger

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, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P410, P411, P420, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

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

Safety data

Signal word
Danger
Symbol(GHS)
GHS07,GHS02
Hazard statements
H242-H302-H315-H319
Precautionary statements
P210-P220-P234-P280-P370+P378-P403+P235-P411-P420-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Suppliers21 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]

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