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Butyl-4,4-bis(tert-butyldioxy)valerat

Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl ester

HCID 70447
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Grundinformationen

CAS
995-33-5
Standard-SMILES
CCCCOC(=O)CCC(C)(OOC(C)(C)C)OOC(C)(C)C
InChIKey
BXIQXYOPGBXIEM-UHFFFAOYSA-N
Summenformel
C17H34O6
Durchschnittliche Molmasse
334,4 g/mol
Monoisotopische Masse
334,2355388

Überblick

This solid peroxide is sensitive to heat. Storage of this material must be done so with stringent temperature control measures. Its explosion hazard is also mitigated by mixing the peroxide with an inert solid.

Namen und Bezeichner

Bevorzugter Name
Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl ester
IUPAC
butyl 4,4-bis(tert-butylperoxy)pentanoate
Lokaler Name
Butyl-4,4-bis(tert-butyldioxy)valerat
Englischer Name
Butyl 4,4-bis(tert-butyldioxy)valerate
Summenformel
C17H34O6
Molmasse
334.45

Namen und Synonyme

Butyl 4,4-bis(tert-butyldioxy)valerate995-33-5EINECS 213-626-6Pentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)-, butyl esterPentanoic acid, 4,4-bis[(1,1-dimethylethyl)dioxy]-, butyl esterRefChem:859977213-626-6butyl 4,4-bis(tert-butylperoxy)pentanoateButyl 4,4-di(tert-butylperoxy)valerateButyl 4,4'-bis(tert-butylperoxy)valerate (Technical Grade)varox dcp-40kevarox dcp-40c
Weitere Namen anzeigen
rigonox 17Trigonox 17Perhexa V 40Luperox 230XLTrigonox 17/40butyl 4,4-di(butylperoxy)valerate
varox 230-xlvarox 118Butyl 4,4-bis(tert-butylperoxy)pentanoate; Butyl 4,4-bis(tert-butylperoxy)valerate;Butyl 4,4-di-tert-butylperoxyvalerate; Butyl 4,4'-bis(tert-butylperoxy)valerate;n-butyl 4,4-bis(t-butylperoxy) valerateSCHEMBL44038DTXSID10613664,4-bis[(1,1-dimethylethyl)dioxy]-pentanoicacibutylesterbutyl-4,4-bis(tert.-butyl peroxy)valerate

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,8
Polarare Oberfläche (TPSA)
63,2 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
13
Schwere Atome
23
Formalladung
0
Komplexität
322

Experimentelle und physikochemische Eigenschaften

Physical Description · 3 Einträge

This solid peroxide is sensitive to heat. Storage of this material must be done so with stringent temperature control measures. Its explosion hazard is also mitigated by mixing the peroxide with an inert solid.

This solid peroxide is sensitive to heat. Storage of this material must be done so with stringent temperature control measures. Its explosion hazard is also mitigated by mixing the peroxide with an inert solid.

Dry Powder; CBI

Physikochemische Eigenschaften

Siedepunkt
363.9 · 363.9±37.0 °C(Predicted)
Dichte
0.9669 g/cm3 · 0.9669 g/cm3
Dampfdruck
0.053 Pa · 0.053Pa at 25℃
Löslichkeit
Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand
Oil
Farbe
Colourless
Wasserlöslichkeit
2.16 mg/L · 2.16mg/L at 20.2℃
Stabilität
Possibly Shock Sensitive

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]

P210, P234, P235, P240, P273, P280, P370+P378, P391, P403, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 22 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Pentanoic acid, 4,4-bis[(1,1-dimethylethyl)dioxy]-, butyl ester

Pentanoic acid, 4,4-bis[(1,1-dimethylethyl)dioxy]-, butyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanoic acid, 4,4-bis[(1,1-dimethylethyl)dioxy]-, butyl ester 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)

REACH registered substance: Butyl 4,4-bis(tert-butyldioxy)valerate (EC: 213-626-6)

Butyl 4,4-bis(tert-butyldioxy)valerate: 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.

DOT LabelOrganic Peroxide
Fire HazardsExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Health HazardsExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Reactive Group · 2 Einträge

Peroxides, Organic

Peroxides, Organic

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <75,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesCBI
General Manufacturing Information · 2 Einträge

Rubber Product Manufacturing

Pentanoic acid, 4,4-bis[(1,1-dimethylethyl)dioxy]-, butyl ester: ACTIVE

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Datenbank-Bezeichner

CAS
995-33-5
PubChem CID
70447
DTXSID
DTXSID1061366
EC Number
213-626-6
Nikkaji
J4.393A
LogP
6.34 at · 6.34 at 55℃
EPA chemische Informationen
4 · Butyl 4,4-di(tert-butylperoxy)valerate (995-33-5)
Reactivity Alerts · 2 Einträge

Strong Oxidizing Agent

Explosive

Reactivity Profile · 2 Einträge

Peroxides, such as N-BUTYL-4,4-DI-(TERT-BUTYLPEROXY)VALERATE, are good oxidizing agents. Organic compounds can ignite on contact with concentrated peroxides. Strongly reduced material such as sulfides, nitrides, and hydrides may react explosively with peroxides. There are few chemical classes that do not at least produce heat when mixed with peroxides. Many produce explosions or generate gases (toxic and nontoxic). Generally, dilute solutions of peroxides (<70%) are safe, but the presence of a catalyst (often a transition metal such as cobalt, iron, manganese, nickel, or vanadium) as an impurity may even then cause rapid decomposition, a buildup of heat, and even an explosion. Solutions of peroxides often become explosive when evaporated to dryness or near-dryness. May explode from heat or contamination. May ignite combustibles (wood, paper, oil, clothing, etc.). May be ignited by heat, sparks or flames.

Peroxides, such as N-BUTYL-4,4-DI-(TERT-BUTYLPEROXY)VALERATE, are good oxidizing agents. Organic compounds can ignite on contact with concentrated peroxides. Strongly reduced material such as sulfides, nitrides, and hydrides may react explosively with peroxides. There are few chemical classes that do not at least produce heat when mixed with peroxides. Many produce explosions or generate gases (toxic and nontoxic). Generally, dilute solutions of peroxides (<70%) are safe, but the presence of a catalyst (often a transition metal such as cobalt, iron, manganese, nickel, or vanadium) as an impurity may even then cause rapid decomposition, a buildup of heat, and even an explosion. Solutions of peroxides often become explosive when evaporated to dryness or near-dryness. Danger of explosion when dry. May explode from heat, shock, friction or contamination. May ignite combustibles (wood, paper, oil, clothing, etc.). May be ignited by heat, sparks or flames.

Air and Water Reactions · 2 Einträge

No rapid reaction with air. No rapid reaction with water.

No rapid reaction with air. No rapid reaction with water.

Hazard Classes and CategoriesOrg. Perox. C (100%)

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
First AidExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Nonfire Spill ResponseExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Isolation and EvacuationExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:

Sicherheitsdaten

tsca
TSCA listed
ridadr
UN 2140/2141
hs_code
2918990090
hazard_class
5.2
packing_group
II