Basic information
- CAS
22288-43-3- Standard SMILES
CCCCC(CC)C(=O)OOC(C)(C)CC(C)(C)C- InChIKey
RFLMOBVJXKBPQW-UHFFFAOYSA-N- Molecular formula
- C16H32O3
- Average molar mass
- 272.42 g/mol
- Monoisotopic mass
- 272.23514488
Names & identifiers
- Preferred name
- 1,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoate
- IUPAC
- 2,4,4-trimethylpentan-2-yl 2-ethylhexaneperoxoate
- English name
- 1,1,3,3-Tetramethylbutyl peroxy-2-ethylhexanoate
- Molecular formula
- C16H32O3
- Molecular weight
- 272.42
Names & synonyms
EINECS 244-894-2Hexaneperoxoic acid, 2-ethyl-, 1,1,3,3-tetramethylbutyl esterEC 244-894-21,1,3,3-Tetramethylbutyl 2-ethylperoxyhexanoateRefChem:409631244-894-22,4,4-trimethylpentan-2-yl 2-ethylhexaneperoxoate22288-43-3SCHEMBL1284591DTXSID30944943RFLMOBVJXKBPQW-UHFFFAOYSA-NDB-240186
Show more names
Valine Impurity 671,1,3,3-Tetramethylbutyl peroxy-2-ethylhexanoate2-Ethylhexaneperoxoic acid 1,1,3,3-tetramethylbutyl2-Ethylhexaneperoxoic acid 1,1,3,3-tetramethylbutyl esterHexaneperoxoic acid,2-ethyl-,1,1,3,3-tetramethylbutyl ester2-ethyl-6-hydroperoxyhexanoic acid 2,4,4-trimethylpentan-2-yl ester
NS000063261,1,3,3-tetramethyl butyl peroxy-2-ethyl hexanoate2-Ethyl-hexaneperoxoic acid 1,1,3,3-tetramethylbutyl ester
Database identifiers
- CAS
22288-43-3
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 311.7 · 311.7±25.0 °C(Predicted)
- Density
- 0.899 · 0.899±0.06 g/cm3(Predicted)
- vapor pressure
- 0.01 · 0.01-93Pa at 20-25℃
- Water Solubility
- 306 · 306-2000000μg/L at 20℃
- LogP
- 2.64 · 2.64-6.2 at 20-25℃
- EPA Substance Registry System
- 2 · Hexaneperoxoic acid, 2-ethyl-, 1,1,3,3-tetramethylbutyl ester (22288-43-3)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 242 · H242-H317
- Precautionary statements
- 210 · P210-P234-P235-P240-P280-P261-P272-P370+P378-P302+P352-P333+P313-P362+P364-P403-P410-P411-P420-P501
- 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 Classification
Danger
H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 1,1,3,3-tetramethylbutyl 2-ethylperoxyhexanoate (EC: 244-894-2)
Hazard Classes and CategoriesOrg. Perox. D (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H242-H317
- REACH Registrations
- Active
- Precautionary statements
- P210-P234-P235-P240-P280-P261-P272-P370+P378-P302+P352-P333+P313-P362+P364-P403-P410-P411-P420-P501
Chemistry & industry
Applications
General Description1,1,3,3-Tetramethylbutyl peroxy-2-ethylhexanoate is particularly sensitive to temperature rises and contamination. Above a given "Control Temperature" they decompose violently.
Suppliers10 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
湖南秉航新材料有限公司85521272 18932438858 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Henan Allgreen Chemical Co.,LTD+86-37155567971 +86-13633837469 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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