tert-Butyl-3,5,5-trimethylperoxyhexanoat

tert-Butyl peroxy-3,5,5-trimethylhexanoate

HCID 114465
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Grundinformationen

CAS
13122-18-4
Standard-SMILES
CC(CC(=O)OOC(C)(C)C)CC(C)(C)C
InChIKey
VSJBBIJIXZVVLQ-UHFFFAOYSA-N
Summenformel
C13H26O3
Durchschnittliche Molmasse
230,34 g/mol
Monoisotopische Masse
230,18819469

Überblick

This peroxide is sensitive to heat. Storage of this material must be done so with stringent temperature control measures.

Namen und Bezeichner

Bevorzugter Name
tert-Butyl peroxy-3,5,5-trimethylhexanoate
IUPAC
tert-butyl 3,5,5-trimethylhexaneperoxoate
Lokaler Name
tert-Butyl-3,5,5-trimethylperoxyhexanoat
Englischer Name
tert-Butyl peroxy-3,5,5-trimethylhexanoate
Summenformel
C13H26O3
Molmasse
230.34

Namen und Synonyme

tert-butyl 3,5,5-trimethylhexaneperoxoate13122-18-4tert-Butyl peroxy-3,5,5-trimethylhexanoatetert-Butyl 3,5,5-trimethylperoxyhexanoateHexaneperoxoic acid, 3,5,5-trimethyl-, 1,1-dimethylethyl ester84TC2IY818TRIGONOX 42PERBUTYL 355LUPEROX 270tert-butyl 3,5,5-trimethylhexanoylperoxideDTXSID40864365PEROXYHEXANOIC ACID, 3,5,5-TRIMETHYL-, TERT-BUTYL ESTER
Weitere Namen anzeigen
42strigonox®Perbutyl 355tert-Butylperisononanoatet-butyl 3,3,5-trimethylperoxyhexanoatet-Butyl peroxy-3,5,5-trimethyl hexanoate
TERT-BUTYL PEROXY-3,5,5-TRIMETHYLHEXANOATE, (TECHNICALLY PURE)TERT-BUTYL PEROXY-3,5,5-TRIMETHYLHEXANOATE, [TECHNICALLY PURE]trigonox 42sRefChem:896468tert-butyl peroxyisononanoateTRIGONOX 42-50PSDTXCID90812891236-050-7

Datenbank-Bezeichner

CAS
13122-18-4
PubChem CID
114465
DTXSID
DTXSID40864365
UNII
84TC2IY818
EC Number
236-050-7
Nikkaji
J4.395H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,1
Polarare Oberfläche (TPSA)
35,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
7
Schwere Atome
16

Experimentelle und physikochemische Eigenschaften

Food Contact Substances · 2 Einträge

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Physical Description · 2 Einträge

This peroxide is sensitive to heat. Storage of this material must be done so with stringent temperature control measures.

Other Solid; CBI; Liquid

Physikochemische Eigenschaften

Schmelzpunkt
-30 °C · -30 °C
Siedepunkt
312.34 °C · 312.34°C (rough estimate)
Dichte
0.897 · 0.897
Dampfdruck
3 Pa · 3Pa at 30.05℃
Brechungsindex
1.4295 · 1.4295-1.4315
storage temp.
Refrigerator (+4°C)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 4% (5 of 125) of reports.

Danger

H242 (54.4%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]

P210, P234, P235, P240, P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 125 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Hexaneperoxoic acid, 3,5,5-trimethyl-, 1,1-dimethylethyl ester

Hexaneperoxoic acid, 3,5,5-trimethyl-, 1,1-dimethylethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexaneperoxoic acid, 3,5,5-trimethyl-, 1,1-dimethylethyl 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)

Status: Active Update: 11-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14600

Hexaneperoxoic acid, 3,5,5-trimethyl-, 1,1-dimethylethyl ester: Does not have an individual approval but may be used under an appropriate group standard

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

Sicherheit und Schutzausrüstung

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)]:

Sicherheitsdaten

tsca
TSCA listed
ridadr
UN 2104
hs_code
29159000
risk_code
7-38
hazard_code
Xi-O,Xi,O
safety_code
36/37/39-3/7-26-14A

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 550,000 - <1,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesCBI
General Manufacturing Information · 2 Einträge

CBI

Hexaneperoxoic acid, 3,5,5-trimethyl-, 1,1-dimethylethyl ester: ACTIVE

Anwendungen · 1 Eintrag

VerwendenTert-butyl peroxy-3,5,5-trimethylhexanoate is a clear liquid which has C13H26O3 as chemical formula. It is used as initiator in the production of acrylic polymers, polyethylene and styrene. Further it is applied as curing agent in the production of unsaturated polyester resins.

Anbieter36 Anbieter

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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