Basic information
- CAS
3071-32-7- Standard SMILES
CC(OO)c1ccccc1- InChIKey
GQNOPVSQPBUJKQ-UHFFFAOYSA-N- Molecular formula
- C8H10O2
- Average molar mass
- 138.16 g/mol
- Monoisotopic mass
- 138.06807956
Overview
structure given in first source
Names & identifiers
- Preferred name
- Ethylbenzene hydroperoxide
- IUPAC
- 1-hydroperoxyethylbenzene
- English name
- 1-phenylethyl hydroperoxide
- Molecular formula
- C8H10O2
- Molecular weight
- 138.16
Names & synonyms
3071-32-7Ethylbenzene hydroperoxideHydroperoxide, 1-phenylethylEBHP76D16BZV57(1-phenyl)ethyl hydroperoxideDTXSID00883734RefChem:139101DTXCID701023230221-341-31-Phenylethyl hydroperoxide1-hydroperoxyethylbenzene
Show more names
(1-Hydroperoxyethyl)benzeneα-Methylbenzyl hydroperoxide
1-Hydroperoxy-1-phenylethane1-phenylethane-1-peroxolalpha-phenylethyl hydroperoxide.ALPHA.-METHYLBENZYL HYDROPEROXIDE1-Hydroperoxy-1-?phenylethaneUNII-76D16BZV57EINECS 221-341-3EC 221-341-3
Database identifiers
- CAS
3071-32-7- PubChem CID
- 92189
- DTXSID
DTXSID00883734- UNII
- 76D16BZV57
- EC Number
- 221-341-3
- Nikkaji
- J28.446G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 87.3
Physicochemical properties
- Boiling point
- 213.57 °C · 213.57°C (rough estimate)
- Density
- 1.0742 · 1.0742 (rough estimate)
- refractive index
- 1.5266 · 1.5266 (estimate)
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- pka
- 11.38 · 11.38±0.10(Predicted)
- color
- Colorless to Light Yellow
- Stability
- Hygroscopic, Temperature Sensitive
- FDA UNII
- 76 D16BZV57 · 76D16BZV57
- EPA Substance Registry System
- 1 · 1-Phenylethyl hydroperoxide (3071-32-7)
- RIDADR
- 3109 · 3109
- TSCA
- TSCA listed
- HazardClass
- 5.2 · 5.2
- PackingGroup
- II
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationREACH registered substance: 1-phenylethyl hydroperoxide (EC: 221-341-3)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- ridadr
- 3109
- hazard_class
- 5.2
- packing_group
- II
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHydroperoxide, 1-phenylethyl: ACTIVE
Applications
UsesEthylbenzene hydroperoxide (EBHP) formed is obtained by oxidizing ethylbenzene with air in liquid-phase or from sunlight irradiation of ethylbenzene and used in the chemical industry as catalyst for the epoxidation of 1-octene .
Suppliers5 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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