Basic information
- Standard SMILES
CC(C)(C)CC(C)(C)OO- InChIKey
MIRQGKQPLPBZQM-UHFFFAOYSA-N- Molecular formula
- C8H18O2
- Average molar mass
- 146.23 g/mol
- Monoisotopic mass
- 146.13067982
Overview
This liquid peroxide is heat and contamination sensitive.
Names & identifiers
- Preferred name
- 1,1,3,3-Tetramethylbutyl hydroperoxide
- IUPAC
- 2-hydroperoxy-2,4,4-trimethylpentane
- English name
- 1,1,3,3-Tetramethylbutyl hydroperoxide
- Molecular formula
- C8H18O2
- Molecular weight
- 146.23
Names & synonyms
1,1,3,3-Tetramethylbutyl hydroperoxideHydroperoxide, 1,1,3,3-tetramethylbutylDTXSID3064011EINECS 227-369-2EC 227-369-21,1,3,3-TETRAMETHYLBUTYL HYDROPEROXIDE, (TECHNICALLY PURE)1,1,3,3-TETRAMETHYLBUTYL HYDROPEROXIDE, [TECHNICALLY PURE]TRIGONOX TMPHPEROCTA Htert-octyl hydroperoxideRefChem:70937LUPERSOL 215
Show more names
2-(Hydroperoxy)-2,4,4-trimethylpentane1,1,3,3-tetramethylbutyl hydropereoxideHydroperoxide,1,1,3,3-tetramethyl butyl(2E)-2-[(4-nitrophenyl)hydrazinylidene]-3-oxo-3-(5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazolin-2-yl)propanoic acid ethyl ester
DTXCID10423142-NEOPENTYL-2-PROPYL HYDROPEROXIDE2,4,4-TRIMETHYL-2-HYDROPEROXYPENTANE2,4,4-TRIMETHYL-2-PENTYL HYDROPEROXIDE227-369-25809-08-52-hydroperoxy-2,4,4-trimethylpentane2,4,4-TRIMETHYLPENTANE-2-PEROXOL
Database identifiers
- CAS
5809-08-5- PubChem CID
- 79877
- DTXSID
DTXSID3064011- EC Number
- 227-369-2
- Nikkaji
- J1.272F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 100
Experimental & physicochemical properties
Physical DescriptionThis liquid peroxide is heat and contamination sensitive.
Physicochemical properties
- Boiling point
- 197.7 · 197.7±9.0 °C(Predicted)
- Density
- 0.888 · 0.888±0.06 g/cm3(Predicted)
- vapor pressure
- 15 Pa · 15Pa at 20℃
- pka
- 12.71 · 12.71±0.50(Predicted)
- Water Solubility
- 2.8 g/L · 2.8g/L at 20℃
- LogP
- 2.9 at · 2.9 at 20℃
- EPA Substance Registry System
- 1 · Hydroperoxide, 1,1,3,3-tetramethylbutyl (5809-08-5)
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 242 · H242-H302-H314-H317-H318-H331-H411
- Precautionary statements
- 210 · P210-P234-P235-P240-P280-P264-P270-P260-P261-P272-P271-P273-P370+P378-P301+P312-P330-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P305+P351+P338-P302+P352-P333+P313-P362+P364-P311-P391-P403-P410-P411-P420-P405-P403+P233-P501
- RIDADR
- 3105 · 3105
- TSCA
- TSCA listed
- HazardClass
- 5.2 · 5.2
- PackingGroup
- II
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (65%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P234, P235, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P333+P317, P362+P364, P363, P370+P378, P391, P403, P403+P233, P403+P235, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 20 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 05-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10047
DOT LabelOrganic Peroxide
Fire HazardsExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Health HazardsExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Reactive GroupPeroxides, Organic
Reactivity AlertsExplosive
Reactivity Profile
Most alkyl monohydroperoxides are liquid, the explosivity of the lower members (e.g., methyl hydroperoxide, or possibly due to traces of the dialkyl peroxides) decreasing with increasing chain length and branching [Bretherick 2nd ed. 1979 p.10].
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and CategoriesFlam. Liq. 3 (65%)
Safety & protection
Fire FightingExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
First AidExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Nonfire Spill ResponseExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Isolation and EvacuationExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Safety data
- tsca
- TSCA listed
- ridadr
- 3105
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS06,GHS09
- hazard_class
- 5.2
- packing_group
- II
- Hazard statements
- H242-H302-H314-H317-H318-H331-H411
- REACH Registrations
- Active
- Precautionary statements
- P210-P234-P235-P240-P280-P264-P270-P260-P261-P272-P271-P273-P370+P378-P301+P312-P330-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P305+P351+P338-P302+P352-P333+P313-P362+P364-P311-P391-P403-P410-P411-P420-P405-P403+P233-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHydroperoxide, 1,1,3,3-tetramethylbutyl: ACTIVE
Applications
General Description1,1,3,3-Tetramethylbutyl hydroperoxide is heat and contamination sensitive.
Upstream & downstream products
Downstream products
Suppliers10 total
湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
海蔚化学86-21-51086038 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [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
8 records
Linked notes
Loading…