6-tert-Butyl-2,4-xylenol

2,4-Dimethyl-6-tert-butylphenol

HCID 15884CAS 1879-09-0

Grundinformationen

Standard-SMILES
Cc1cc(C)c(O)c(C(C)(C)C)c1
InChIKey
OPLCSTZDXXUYDU-UHFFFAOYSA-N
Summenformel
C12H18O
Durchschnittliche Molmasse
178,27 g/mol
Monoisotopische Masse
178,13576519

Namen und Bezeichner

Bevorzugter Name
2,4-Dimethyl-6-tert-butylphenol
IUPAC
2-tert-butyl-4,6-dimethylphenol
Lokaler Name
6-tert-Butyl-2,4-xylenol
Englischer Name
2-tert-Butyl-4,6-dimethylphenol
Summenformel
C12H18O
Molmasse
178.27

Namen und Synonyme

1879-09-02-tert-Butyl-4,6-dimethylphenol6-tert-Butyl-2,4-xylenol2,4-Dimethyl-6-tert-butylphenol6-tert-Butyl-2,4-dimethylphenolTopanol APhenol, 2-(1,1-dimethylethyl)-4,6-dimethyl-Prodox 3402,4-Xylenol, 6-tert-butyl-DTXSID60415514HZG7U1P1S2-methyl-6-tert-butyl-p-cresol
Weitere Namen anzeigen
AO-30Butyldimethylphenol2-tert-Butyl-4,6-dimethylphenol (Standard)AO-26
2,4-Dimethyl-6-tert-butyl phenolDTXCID40215516-(1,1-DIMETHYLETHYL)-2,4-DIMETHYLPHENOLM 24 (antioxidant)RefChem:544345217-533-12-(tert-Butyl)-4,6-dimethylphenol6-t-Butyl-2,4-xylenol

Datenbank-Bezeichner

CAS
1879-09-0
PubChem CID
15884
DTXSID
DTXSID6041551
ChEMBL
CHEMBL3561934
UNII
4HZG7U1P1S
EC Number
217-533-1
Nikkaji
J150.062G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

Vapor Pressure0.01 [mmHg]
Physical Description · 3 Einträge

2,4-dimethyl-6-tert-butyl phenol appears as a yellow liquid with a phenolic odor. Insoluble in water and about the same density as water. Exposure to skin, eyes or mucous membranes may cause severe burns.

Liquid; Liquid; Other Solid

Melting point = 22.3 deg C; [ChemIDplus] Yellow liquid with a phenolic odor; [CAMEO] Liquid; mp = 22-23 deg C; [Sigma-Aldrich MSDS]

Kovats Retention Index1363.9
Collision Cross Section144.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6041551]

Physikochemische Eigenschaften

Schmelzpunkt
22 °C · 22 °C
Siedepunkt
249 °C · 249°C
Dichte
0 · 0,917 g/cm3
Dampfdruck
4.2 Pa · 4.2Pa at 25℃
Brechungsindex
1.5183 · 1.5183
Flammpunkt
112 °C · 112°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 2.5% (22 of 890) of reports.

Danger

H301 (50.9%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral];H310 (31.1%): Fatal in contact with skin [Danger Acute toxicity, dermal];H315 (93%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (91.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H373 (36.4%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H411 (86.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P262, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 890 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 22 of 890 reports by companies.;There are 21 notifications provided by 868 of 890 reports by companies with hazard statement code(s).;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)-4,6-dimethyl-

Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl- 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: 11-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/25666;Status: Active Update: 04-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/5879

Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl-: HSNO Approval: HSR003625 Approved with controls

DOT LabelCorrosive
Fire Hazards · 1 Eintrag

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Corrosives in contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. (ERG, 2024)

Health Hazards · 1 Eintrag

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death. Methyl bromoacetate (UN2643) is an eye irritant/lachrymator (causes flow of tears). Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. (ERG, 2024)

Hazards Summary · 1 Eintrag

A repeated-dose/reproductive/developmental oral study of rats produced increased liver and kidney weights in parental animals (corresponding histopathological changes), loss of litters during lactation, a NOEL of 6 mg/kg/day for repeated-dose toxicity, and a NOEL of 30 mg/kg/day for reproductive toxicity; [OECD SIDS: 6-tert-Butyl-2,4-xylenol - 1996] Causes convulsions, acute pulmonary edema, and other changes in lungs, thorax, or respiration in dermal and oral lethal-dose studies of guinea pigs; [RTECS] May cause severe burns; [CAMEO] A skin and strong eye irritant; Harmful by ingestion (targets liver and kidneys); Highly toxic by skin absorption; [ECHA REACH Registrations] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; Highly toxic by inhalation; Toxic by and skin absorption; [Sigma-Aldrich MSDS] See Xylenol.

Reactive GroupPhenols and Cresols

Sicherheit und Schutzausrüstung

Fire Fighting · 1 Eintrag

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;SMALL FIRE: Dry chemical, CO2 or water spray.;LARGE FIRE: Dry chemical, CO2, alcohol-resistant foam or water spray. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. (ERG, 2024)

First Aid · 1 Eintrag

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;Refer to the "General First Aid" section. Specific First Aid: For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required. Removal of solidified molten material from skin requires medical assistance. (ERG, 2024)

Nonfire Spill Response · 1 Eintrag

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2024)

Isolation and Evacuation · 1 Eintrag

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Personal Protective Equipment (PPE) · 1 Eintrag

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE. Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. (ERG, 2024)

Toxikologische Informationen

Adverse Effects · 1 Eintrag

Occupational 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.;Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

Regulatorische Informationen

Regulatory Information · 4 Einträge

Chemical: Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl-

Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl- 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: 11-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/25666;Status: Active Update: 04-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/5879

Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl-: HSNO Approval: HSR003625 Approved with controls

Sicherheitsdaten

wgk
WGK 3
tsca
TSCA listed
ridadr
2927
hs_code
2907.19.8000
RTECS-Nr.
ZE6825000
risk_code
20/21/22-36/37/38

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Used as an antioxidant and rubber processing agent; [OECD SIDS: 6-tert-Butyl-2,4-xylenol - 1996] Used as an intermediate and in the formulation of lubricant additives, lubricants, greases, hydraulic fluids, and metalworking fluids; [ECHA REACH Registrations]

Metal Machining [Category: Heat or Machine]

U.S. Production2023: 850,000 - <1,000,000 lb;2022: 2,500,000 - <4,000,000 lb;2021: 1,000,000 - <2,500,000 lb;2020: 1,000,000 - <2,500,000 lb
Industry UsesLubricating agent;Fuel agents;Intermediate
General Manufacturing Information · 2 Einträge

Petroleum Lubricating Oil and Grease Manufacturing;Petroleum Refineries;Petrochemical Manufacturing;All Other Basic Organic Chemical Manufacturing

Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl-: ACTIVE

Anwendungen

Verwenden6-tert-Butyl-2,4-xylenol is an antioxidant found used in rocket and jet fuels.

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Vorgelagerte Rohstoffe

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