Methyl-3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionat

Methyl di-t-butyl hydroxyhydrocinnamate

HCID 62603CAS 6386-38-5
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey
PXMJCECEFTYEKE-UHFFFAOYSA-N
Summenformel
C18H28O3
Durchschnittliche Molmasse
292,4 g/mol
Monoisotopische Masse
292,20384476

Überblick

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester is an alkylbenzene.

Namen und Bezeichner

Bevorzugter Name
Methyl di-t-butyl hydroxyhydrocinnamate
IUPAC
methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Lokaler Name
Methyl-3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionat
Englischer Name
Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
Summenformel
C18H28O3
Molmasse
292.41

Namen und Synonyme

6386-38-5Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionateBenzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl estermethyl di-t-butyl hydroxyhydrocinnamateMethyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate35RWF1ITXJRALOX 35EINECS 228-985-4PHENOSAN METHYL ESTERFENOZAN 1Hydrocinnamic acid, 3,5-di-tert-butyl-4-hydroxy-, methyl esterEC 228-985-4
Weitere Namen anzeigen
Metilox3,5-Methyl Ester3-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-PROPIONIC ACID METHYL ESTERralox35Methyl 3-(3Methyl 3-(3,5-di-terPropofol Impurity 35Propofol Related Compound 33,5-di-tert-butyl-4-hydroxyphenyl
methyl 3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionateMETHYL .BETA.-3,5-DI-TERT-BUTYL-4-HYDROXYPHENYLPROPIONATEMETHYL 3,5-DI-TERT-BUTYL-4-HYDROXYCINNAMATEmethyl (3,5-di-tert-butyl-4-hydroxyphenyl)propionate3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionic acid methyl esterMETHYL .BETA.-(4-HYDROXY-3,5-DI-TERT-BUTYLPHENYL)PROPANOATEMETHYL .BETA.-(4-HYDROXY-3,5-DI-TERT-BUTYLPHENYL)PROPIONATEMETHYL 3,5-DI-TERT-BUTYL-4-HYDROXY-.BETA.-PHENYLPROPIONATE

Datenbank-Bezeichner

CAS
6386-38-5
PubChem CID
62603
DTXSID
DTXSID7027623
ChEBI
CHEBI:183289
UNII
35RWF1ITXJ
EC Number
228-985-4
Nikkaji
J62.859J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5
Polarare Oberfläche (TPSA)
46,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
6
Schwere Atome
21

Experimentelle und physikochemische Eigenschaften

FragrancesFragrance Ingredient (Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate) -> IFRA transparency List
Physical DescriptionOther Solid; Dry Powder; Liquid
Collision Cross Section176.2 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7027623]

Physikochemische Eigenschaften

Schmelzpunkt
60 · 60-67°C
Siedepunkt
125 · 125-130 °C(Press: 0.1 Torr)
Dichte
1.006 · 1.006±0.06 g/cm3(Predicted)
Brechungsindex
1.5034 · 1.5034
storage temp.
Inert atmosphere,Room Temperature
Löslichkeit
soluble in Methanol

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302 (15.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 344 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

Gefahrenhinweise

Regulatory Information · 4 Einträge

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

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl 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-, methyl 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: 15-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/5593

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester: 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.

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (15.7%)

Reproductive toxicity - Category 2

Sicherheitsdaten

tsca
TSCA listed
hs_code
2918290090
risk_code
36/37/38
safety_code
26-36/37/39
hazard_class
IRRITANT

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 10,000,000 - <50,000,000 lb
Consumer UsesAntioxidant
Industry UsesAntioxidant
Household ProductsInformation on 9 consumer products that contain Methyl Di-T-Butyl Hydroxyhydrocinnamate in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information · 2 Einträge

Not Known or Reasonably Ascertainable

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

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

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