Basic information
- CAS
68860-54-8- Standard SMILES
CCC(C)(C)OOC(=O)CC(C)CC(C)(C)C- InChIKey
NMSKTCFOZXKENS-UHFFFAOYSA-N- Molecular formula
- C14H28O3
- Average molar mass
- 244.37 g/mol
- Monoisotopic mass
- 244.20384475
Names & identifiers
- Preferred name
- 1,1-Dimethylpropyl 3,5,5-trimethylperoxyhexanoate
- IUPAC
- 2-methylbutan-2-yl 3,5,5-trimethylhexaneperoxoate
- English name
- 2-methylbutan-2-yl 3,5,5-trimethylhexaneperoxoate
- Molecular formula
- C14H28O3
- Molecular weight
- 244.37
Names & synonyms
1,1-Dimethylpropyl 3,5,5-trimethylhexaneperoxoate1,1-dimethylpropyl 3,5,5-trimethylperoxyhexanoateRefChem:410255431-610-968860-54-8Hexaneperoxoic acid, 3,5,5-trimethyl-, 1,1-dimethylpropyl ester2-methylbutan-2-yl 3,5,5-trimethylhexaneperoxoateEC 431-610-9SCHEMBL2023147DTXSID50988566NMSKTCFOZXKENS-UHFFFAOYSA-Ntert-amylperoxy-3,5,5-trimethylhexanoate
Show more names
tert-Amyl peroxyisononanoate
NS00011512
Database identifiers
- CAS
68860-54-8- PubChem CID
- 154396
- DTXSID
DTXSID50988566- EC Number
- 431-610-9
- Nikkaji
- J600.133E
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- EPA Substance Registry System
- 3 · Hexaneperoxoic acid, 3,5,5-trimethyl-, 1,1-dimethylpropyl ester (68860-54-8)
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 242 · H242-H317-H410
- Precautionary statements
- 210 · P210-P220-P234-P280-P370+P378-P403+P235-P411-P420-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501
- REACH Registrations
- Inactive
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 Classification
Danger
H242: Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P370+P378, P391, P403, P410, P411, P420, and P501 (click each P-code to see the statement)
Danger
H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P370+P378, P391, P403, P410, P411, P420, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationREACH registered substance: 1,1-dimethylpropyl 3,5,5-trimethylperoxyhexanoate (EC: 431-610-9)
Hazard Classes and Categories
Org. Perox. D (100%)
Organic peroxide - type D
Organic peroxides - Type D
Skin sensitization - Category 1
Org. Perox. D
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS09
- Hazard statements
- H242-H317-H410
- REACH Registrations
- Inactive
- Precautionary statements
- P210-P220-P234-P280-P370+P378-P403+P235-P411-P420-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501
Chemistry & industry
Suppliers1 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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