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Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate

HCID 178805656
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GrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
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Grundinformationen

CAS
80693-11-4
Standard-SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey
SSDSCDGVMJFTEQ-UHFFFAOYSA-N
Summenformel
C35H62O3
Durchschnittliche Molmasse
530,9 g/mol

Namen und Bezeichner

Bevorzugter Name
Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate
IUPAC
octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Englischer Name
Stearyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
Summenformel
C35H62O3
Molmasse
0

Namen und Synonyme

Irganox 1076stearyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionateIRGANOX-1076TINOGARD TSV88J661G2POctadecyl DI-tert-butyl-4-hydroxyhydrocinnamateSELOSOL F 773SONGNOX 10763,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid octadecyl esterRefChem:7890082082-79-3Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
Weitere Namen anzeigen
octadecyl 3-(4-hydroxy-3,5-ditert-butyl-phenyl)propanoateStearyl beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
Antioxidant 1076octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoateTominokusu SSNaugard 76Ralox 530Sumilizer BP 76Ultranox 276Irganox 1906

Datenbank-Bezeichner

CAS
80693-11-4
UNII
V88J661G2P
EC Number
218-216-0
Nikkaji
J21.231H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
13,8
Polarare Oberfläche (TPSA)
46,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
23
Schwere Atome
38
Formalladung
0
Komplexität
561

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Other Classes -> Other Aromatic Compounds

Antioxidant

Polymers · 2 Einträge

Plastics -> Antioxidants

Plastics -> Polyolefin-I; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PMMA; PC; (E)PS

FragrancesFragrance Ingredient (Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester) -> IFRA transparency List
Food Contact Substances · 6 Einträge

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

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

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

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

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

Physical Description · 2 Einträge

Dry Powder; Liquid; Liquid; Large Crystals; Liquid; Wet Solid; CBI; Dry Powder; Other Solid

Irganox: White odorless solid; [HSDB] Solid; [IUCLID]

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 · 6 Einträge

This chemical does not meet GHS hazard criteria for 73.7% (1157 of 1569) of all reports.

Warning

H317 (19.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1569 reports by companies from 14 notifications to the ECHA C&L Inventory.

Warning

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl 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: 19-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15217

Hydrocinnamic acid, 3,5-di-t-butyl-4-hydroxy-, octadecyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester: Human health tier I assessment
Hazards SummaryAn irritant; [MSDSonline]
Hazard Classes and Categories · 2 Einträge

Skin Sens. 1 (19.6%)

Reproductive toxicity - Category 2

Sicherheit und Schutzausrüstung

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Irganox: Trademark for a series of complex, high-molecular-weight stabilizers that inhibit oxidation and thermal degradation of many organic materials. They contain multifunctional chemical groupings. Several are hindered polyphenols. [HSDB] Used in process that results in inclusion into or onto matrix; in polymers industry; as stabilizer; as antioxidant; [IUCLID]

Plastics -> Typical concentration range in plastic materials -> 0.002 - 0.4%

U.S. Production2023: 25,000,000 - <40,000,000 lb
Consumer UsesOther
Industry UsesOther
Household ProductsInformation on 11 consumer products that contain Hydrocinnamic acid, 3,5-di-t-butyl-4-hydroxy-, octadecyl ester in the following categories is provided:
Use Classification · 3 Einträge

Fragrance Ingredients

Plastics -> Polymer Type -> Polyolefin-I; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PMMA; PC; (E)PS

Plastics -> Antioxidants

General Manufacturing Information · 3 Einträge

Asphalt Paving, Roofing, and Coating Materials Manufacturing

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, octadecyl ester: ACTIVE

TRADEMARK FOR A SERIES OF COMPLEX, HIGH-MOLECULAR-WEIGHT STABILIZERS THAT INHIBIT OXIDATION AND THERMAL DEGRADATION OF MANY ORGANIC MATERIALS. THEY CONTAIN MULTIFUNCTIONAL CHEMICAL GROUPINGS. SEVERAL ARE HINDERED POLYPHENOLS. /IRGANOX/

Anbieter1 Anbieter

HONEST JOY HOLDINGS LIMITED[email protected]

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Exposure Control and Personal Protection20.0 [mg/m3], inhalable fraction[German Research Foundation (DFG)]

Toxikologische Informationen

Non-Human Toxicity Excerpts · 2 Einträge

MUTAGENICITY OF PHOTOREACTION PRODUCTS OF TITLE COMPD WAS DETERMINED IN SALMONELLA TYPHIMURIUM TA98 & TA100. AT MORE THAN 100 MUG/PLATE, NO MUTAGENICITY WAS OBSERVED. THE PHOTOREACTION PRODUCTS OF 2,6-DI-TERT-BUTYL-4-METHYL-4-TERT-BUTYLPEROXY-2,5-CYCLOHEXADIENONE & THE DIMERIC OXIDN PRODUCTS OF IRGANOX 1076 WERE CHARACTERIZED BY TLC OR NMR SPECTROMETRY.

ORAL ADMIN OF N-OCTADECYL BETA-(3',5'-DI-TERT-BUTYL-4'- HYDROXYPHENYL)PROPIONATE IN MALE & FEMALE RATS PRODUCED BOTH LIVER ENLARGEMENT & INDUCTION OF HEPATIC MICROSOMAL XENOBIOTIC METABOLISM, INCLUDING CYTOCHROME P-450, MIXED-FUNCTION OXIDASE ENZYMES & UDP-GLUCURONOSYLTRANSFERASE.

Toxicity DataLC50 (rat) > 1,811 mg/m3/4h