Basic information
- CAS
3425-61-4- Standard SMILES
CCC(C)(C)OO- InChIKey
XRXANEMIFVRKLN-UHFFFAOYSA-N- Molecular formula
- C5H12O2
- Average molar mass
- 104.15 g/mol
- Monoisotopic mass
- 104.08372962
Names & identifiers
- Preferred name
- tert-Amyl hydroperoxide
- IUPAC
- 2-hydroperoxy-2-methylbutane
- English name
- tert-Amyl hydroperoxide
- Molecular formula
- C5H12O2
- Molecular weight
- 104.15
Names & synonyms
tert-Amyl hydroperoxide3425-61-4t-Amyl hydroperoxideTrigonox TAHPtert-Pentyl hydroperoxide1,1-Dimethylpropyl hydroperoxidetert-AmylhydroperoxideHydroperoxide, 1,1-dimethylpropyl8DSG8F2WBPtertiary-amyl hydroperoxideJ69.507FTAH 85
Show more names
TAHP1-AMYLHYDROPEROXIDETert-amyhyl droperoxide2-hydroperoxy-2-methyl-butane
DTXSID6029256RefChem:891491DTXCID209256222-321-72-hydroperoxy-2-methylbutanetert-Amyl hydroperoxide, tech grade2-methylbutane-2-peroxolEINECS 222-321-7
Database identifiers
- CAS
3425-61-4- PubChem CID
- 76962
- DTXSID
DTXSID6029256- UNII
- 8DSG8F2WBP
- EC Number
- 222-321-7
- Nikkaji
- J69.507F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 50
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Peroxides, Organic
Physical DescriptionLiquid; CBI
Physicochemical properties
- Melting point
- -70 °C · -70°C
- Boiling point
- 135.3 °C · 135.3°C (rough estimate)
- Density
- 0.905 · 0.905
- vapor pressure
- 43.2 hPa · 43.2hPa at 25℃
- refractive index
- 1.5 · 1.5000 (estimate)
- Flash point
- 41 ℃ · 41℃
- pka
- 12.71 · 12.71±0.50(Predicted)
- form
- A liquid or gas
- Odor
- clear water-wh. liq. or gas, sharp odor
- Water Solubility
- 63.25 g/L · 63.25g/L at 20℃
- InChI
- InChI=1S/C5H12O2/c1-4-5(2,3)7-6/h6H,4H2,1-3H3
- InChIKey
- XRXANEMIFVRKLN-UHFFFAOYSA-N
- SMILES
- C(OO)(C)(C)CC
- LogP
- 2.9 · 2.9
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 DSG8F2WBP · 8DSG8F2WBP
- EPA Substance Registry System
- tert-Amyl hydroperoxide (3425-61-4)
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS06,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 226 · H226-H242-H302-H311-H314-H317-H331-H341-H411
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P234-P235-P264-P270-P260-P261-P272-P271-P201-P202-P273-P303+P361+P353-P370+P378-P301+P312-P330-P302+P352-P312-P361+P364-P301+P330+P331-P363-P304+P340-P310-P305+P351+P338-P333+P313-P362+P364-P311-P308+P313-P391-P403+P235-P403-P410-P411-P420-P405-P403+P233-P501
- Risk Statements
- 7 · 7-11-52/53-68
- Safety Statements
- 3 · 3/7-14-16-23-36/37/39-61
- RIDADR
- 3107 · 3107
- TSCA
- TSCA listed
- HS Code
- 29096000 · 29096000
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 863 mg/kg 85GMAT -,21,82
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (97.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P234, P235, P240, P241, P242, P243, P260, P261, P262, 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, P333+P317, P361+P364, 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 131 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Hydroperoxide, 1,1-dimethylpropyl is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hydroperoxide, 1,1-dimethylpropyl are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 07-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5881
Hydroperoxide, 1,1-dimethylpropyl: 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.
Hazards Summary
Causes changes in lung weight, methemoglobinemia, effects to cytochrome oxidases, general anesthesia, acute pulmonary edema, and hematuria in inhalation lethal-concentration and oral lethal-dose studies of rats and mice; [RTECS] See tert-Butyl hydroperoxide.
Hazard Classes and CategoriesFlam. Liq. 3 (97.7%)
Toxicology
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Toxicity DataLC50 (rat) = 1,510 mg/m3
Safety data
- tsca
- TSCA listed
- ridadr
- 3107
- hs_code
- 29096000
- Toxicity
- LD50 orl-rat: 863 mg/kg 85GMAT -,21,82
- risk_code
- 7-11-52/53-68
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS06,GHS08,GHS09
- safety_code
- 3/7-14-16-23-36/37/39-61
- Hazard statements
- H226-H242-H302-H311-H314-H317-H331-H341-H411
- REACH Registrations
- Active
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P234-P235-P264-P270-P260-P261-P272-P271-P201-P202-P273-P303+P361+P353-P370+P378-P301+P312-P330-P302+P352-P312-P361+P364-P301+P330+P331-P363-P304+P340-P310-P305+P351+P338-P333+P313-P362+P364-P311-P308+P313-P391-P403+P235-P403-P410-P411-P420-P405-P403+P233-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesPlasticizer
General Manufacturing Information
CBI
Hydroperoxide, 1,1-dimethylpropyl: ACTIVE
Applications
Usestert-AmylHydroperoxide is a free radical initiator; used in preparation of low-dielectric high-strength resin compound, prepreg and laminate.
Upstream & downstream products
Downstream products
Suppliers26 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
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]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
辽宁中茂新材料有限公司+86-13656229759; +86-13656229759 · [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]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
辽宁中茂新材料有限公司13656229759; 13656229759 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
济南国辰泰富化工有限公司0531-88162029 13256661585 · [email protected]
沈阳莫德医药科技有限公司024-23982345 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
Henan Allgreen Chemical Co.,LTD+86-37155567971 +86-13633837469 · [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
23 records
Compound notes
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