Basic information
- CAS
22313-62-8- Standard SMILES
Cc1ccccc1C(=O)OOC(C)(C)C- InChIKey
GBQWKOINWFTDGY-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- tert-Butyl 2-methylperbenzoate
- IUPAC
- tert-butyl 2-methylbenzenecarboperoxoate
- English name
- tert-butyl 2-methylperbenzoate
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25
Names & synonyms
22313-62-8Benzenecarboperoxoic acid, 2-methyl-, 1,1-dimethylethyl estertert-Butyl 2-methylperbenzoateHTF5MWA6MEtert-Butyl peroxy-o-methylbenzoateEINECS 244-906-6DTXSID2066779TERT-BUTYL O-METHYLPERBENZOATETERT-BUTYL 2-METHYLBENZOYL PEROXIDERefChem:892651DTXCID2036663244-906-6
Show more names
tert-Butylperoxy 2-methylbenzoatetert.-Butylperoxy-2-methylbenzoat212-Methylperbenzoic acid tert-butyl ester2-Methylperbenzoic acid 1,1-dimethylethyl ester
tert-butyl 2-methylbenzenecarboperoxoateUNII-HTF5MWA6MEtert-butyl 2-methylbenzene-1-carboperoxoateSCHEMBL6055000SCHEMBL31672680GBQWKOINWFTDGY-UHFFFAOYSA-NNS000271232-Methyl-benzenecarboperoxoic acid tert-butyl ester
Database identifiers
- CAS
22313-62-8- PubChem CID
- 89655
- DTXSID
DTXSID2066779- UNII
- HTF5MWA6ME
- EC Number
- 244-906-6
- Nikkaji
- J285.481C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 55 °C · 55 °C(Press: 0.01 Torr)
- Density
- 1.043 · 1.043±0.06 g/cm3(Predicted)
- FDA UNII
- 5 MWA6ME · HTF5MWA6ME
- EPA Substance Registry System
- 2 · Benzenecarboperoxoic acid, 2-methyl-, 1,1-dimethylethyl ester (22313-62-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationBenzenecarboperoxoic acid, 2-methyl-, 1,1-dimethylethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenecarboperoxoic acid, 2-methyl-, 1,1-dimethylethyl ester: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [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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