6-tert-Butyl-m-cresol

HCID 6937CAS 88-60-8

Grundinformationen

Standard-SMILES
Cc1ccc(C(C)(C)C)c(O)c1
InChIKey
XOUQAVYLRNOXDO-UHFFFAOYSA-N
Summenformel
C11H16O
Durchschnittliche Molmasse
164,24 g/mol
Monoisotopische Masse
164,12011513

Namen und Bezeichner

Bevorzugter Name
6-tert-Butyl-m-cresol
IUPAC
2-tert-butyl-5-methylphenol

Namen und Synonyme

6-tert-Butyl-m-cresol88-60-82-tert-Butyl-5-methylphenol2-(tert-butyl)-5-methylphenol6-tert-Butyl-3-methylphenol5-Methyl-2-tert-butylphenol3-Methyl-6-tert-butylphenolPhenol, 2-(1,1-dimethylethyl)-5-methyl-m-Cresol, 6-tert-butyl-2-tert-butyl-5-methyl-phenolMFCD000023086-tert-Butyl-3-cresol
Weitere Namen anzeigen
2-t-Butyl-5-methylphenolBRN 1908225DTXSID2026529Phenol, 2-tert-butyl-5-methyl-Benzene, 1-tert-butyl-2-hydroxy-4-methyl-NSC48467NSC-48467UXV32MJ2CA

Datenbank-Bezeichner

CAS
88-60-8
PubChem CID
6937
DTXSID
DTXSID2026529
ChEMBL
CHEMBL1880057
UNII
UXV32MJ2CA
EC Number
201-842-3
Nikkaji
J101.497H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,6
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

Density0.922 AT 80 °C/4 °C
SolubilityINSOL IN WATER; SOL IN ALCOHOL, ETHER, ACETONE, ORGANIC SOLVENTS
Flash Point114 °C
Boiling Point224 °C AT 760 MM HG
Melting Point46 °C
Vapor Pressure0.02 [mmHg]

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (76.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (23.8%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (42.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (23.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (23.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (21.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 164 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Phenol, 2-(1,1-dimethylethyl)-5-methyl-

Phenol, 2-(1,1-dimethylethyl)-5-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(1,1-dimethylethyl)-5-methyl- 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: 26-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/13836

Phenol, 2-(1,1-dimethylethyl)-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA corrosive substance that can cause injury to the skin and eyes (based on animal studies); [CHEMINFO] An irritant; Harmful if swallowed; [Aldrich MSDS]
Hazard Classes and Categories · 3 Einträge

Acute Tox. 4 (100%);Skin Corr. 1B (76.2%);Skin Irrit. 2 (23.8%);Eye Dam. 1 (42.1%);Eye Irrit. 2 (23.8%);STOT SE 3 (23.8%);Aquatic Chronic 2 (21.3%)

Hazardous to the aquatic environment (Acute) - Category 2;Hazardous to the aquatic environment (Long-term) - Category 2

Acute toxicity (Oral) - Category 4;Acute toxicity (Dermal) - Category 4;Skin corrosion/irritation - Category 1;Serious eye damage/eye irritation - Category 1;Reproductive toxicity - Category 2;Specific target organ toxicity - Single exposure - Category 2 (kidney, central nervous system);Specific target organ toxicity - Repeated exposure - Category 2 (liver);Hazardous to the aquatic environment (Acute) - Category 2;Hazardous to the aquatic environment (Long-term) - Category 2

Toxikologische Informationen

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.;Dermatotoxin - Skin burns.
Non-Human Toxicity Excerpts2-TERT-BUTYL-5-METHYLPHENOL LACKED HEXOBARBITONE OXIDASE & AMINOPYRINE DEMETHYLASE INDUCING ACTIVITY IN LIVERS OF RATS WHEN GIVEN AT 1.5 MILLIMOLES/KG ORALLY FOR 6 DAYS.

Regulatorische Informationen

Regulatory Information · 4 Einträge

Chemical: Phenol, 2-(1,1-dimethylethyl)-5-methyl-

Phenol, 2-(1,1-dimethylethyl)-5-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(1,1-dimethylethyl)-5-methyl- 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: 26-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/13836

Phenol, 2-(1,1-dimethylethyl)-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Chemie und Industrie

Pharmakologische Informationen

Absorption, Distribution and Excretion · 1 Eintrag

WHEN 6-TERT-BUTYL-M-CRESOL WAS ALLOWED TO INTERACT WITH BOVINE SERUM ALBUMIN, THE NUMBERS OF SITES OCCUPIED/MOLECULE OF PROTEIN WAS 17. THE NUMBER OF SITES OCCUPIED WAS A LINEAR FUNCTION OF THE DISTRIBUTION COEFFICIENT FOR PARTITION BETWEEN HYDRATED SILICA & THE ORGANIC MOBILE PHASE IN THIN-LAYER CHROMATOGRAPHY & A LINEAR FUNCTION OF THE DIFFERENCES BETWEEN THE O-H STRETCHING FREQUENCIES INFRARED SPECTRA OF THE M-CRESOLS IN CARBON TETRACHLORIDE SOLN & IN THE PURE LIQ STATE. THE BINDING OF M-CRESOLS APPARENTLY INCR WITH THEIR STERIC HINDRANCE, & THE BINDING DEPENDS ON THE PARTITION BETWEEN AN AQ PHASE & ORG PHASE.

Verwendung und Herstellung

Uses · 6 Einträge

Used to make musk ambrette (fixative in perfumes), bridged phenol compounds (rubber antioxidants), and phenolic antioxidants (for thermoplastics); Also used as an antioxidant and stabilizer for coumarone-indene resins and polyvinyl ethers and as a stabilizer for trichloro- and perchloroethylene; [HSDB]

Plastic Composites Manufacturing [Category: Industry]

CHEM INT FOR MUSK AMBRETTE USED AS FIXATIVE IN PERFUMES

CHEM INT FOR BRIDGED PHENOL COMPDS (RUBBER ANTIOXIDANTS)

CHEM INT FOR PHENOLIC ANTIOXIDANTS USED IN THERMOPLASTICS

INT FOR REACTION PRODUCT WITH SULFUR DICHLORIDE

U.S. Exports · 2 Einträge

(1979) No Data

(1981) No Data

U.S. Imports · 2 Einträge

(1980) 1.06X10+8 G-UNSPECIFIED ISOMER

(1981) 7.46X10+7 GRAMS (PRINCPL CUSTMS DISTS)

U.S. Production · 3 Einträge

2022: 1,000,000 - <5,000,000 lb;2021: 1,000,000 - <5,000,000 lb;2020: 1,000,000 - <5,000,000 lb

(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Methods of ManufacturingACID-CATALYZED REMOVAL OF ONE TERTIARY BUTYL GROUP FROM 5-METHYL-2,4-DI-TERT-BUTYLPHENOL
Use ClassificationFragrance Ingredients

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