4-(1,1-Dimethylethyl)-1,2-benzoldiol

4-tert-Butylcatechol

HCID 7381CAS 98-29-3
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Grundinformationen

Standard-SMILES
CC(C)(C)c1ccc(O)c(O)c1
InChIKey
XESZUVZBAMCAEJ-UHFFFAOYSA-N
Summenformel
C10H14O2
Durchschnittliche Molmasse
166,22 g/mol
Monoisotopische Masse
166,09937969

Namen und Bezeichner

Bevorzugter Name
4-tert-Butylcatechol
IUPAC
4-tert-butylbenzene-1,2-diol
Lokaler Name
4-(1,1-Dimethylethyl)-1,2-benzoldiol
Englischer Name
4-tert-Butylcatechol
Summenformel
C10H14O2
Molmasse
166.22

Namen und Synonyme

4-tert-Butylcatechol98-29-3p-tert-Butylcatecholp-tert-Butyl catecholSynox TBC1,2-Benzenediol, 4-(1,1-dimethylethyl)-4-tert-butyl catecholDTXSID5024687NSC-53109A069144KRDTXCID804687para-tert-butyl catechol
Weitere Namen anzeigen
TBC4-tbcPTBC4-TERT-BUTYL-1,2-BENZENEDIOLT-BUTYL CATECHOLP-T-BUTYLCATECHOLp-tert-Butylpyrocatechol
4-tertiary butyl catecholRefChem:858183202-653-94-(tert-butyl)benzene-1,2-diol4-tert-butylbenzene-1,2-diol4-tert-Butylpyrocatechol4-T-BUTYLCATECHOL4-t-Butylpyrocatechol

Datenbank-Bezeichner

CAS
98-29-3
PubChem CID
7381
DTXSID
DTXSID5024687
ChEMBL
CHEMBL220845
UNII
9A069144KR
EC Number
202-653-9
Nikkaji
J21.591K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,7
Polarare Oberfläche (TPSA)
40,5 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Phenols
Density1.0496 @25 °C
Flash Point130 °C
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point285 °C @760 [mm Hg]
Melting Point52 °C

Physikochemische Eigenschaften

Schmelzpunkt
52 · 52-55 °C(lit.)
Siedepunkt
285 °C · 285 °C(lit.)
Dichte
1.049 · 1.049
Dampfdruck
1 hPa · <1 hPa (25 °C)
Brechungsindex
20 · n20/D 1.508
Flammpunkt
230 °F · >230 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 1% (27 of 2665) of reports.

Danger

H302 (87.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2665 reports by companies from 36 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 1,2-Benzenediol, 4-(1,1-dimethylethyl)-

1,2-Benzenediol, 4-(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenediol, 4-(1,1-dimethylethyl)- 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: 10-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13800

4-t-Butylpyrocatechol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - tert-butyl catechol: Human health tier II assessment
Hazards Summary · 1 Eintrag

Has corrosive effects to skin and eyes; [CHEMINFO] Danger of skin sensitization; [MAK] No mortality occurred in animals exposed to saturated concentrations (3-4 ppm); Cases of skin depigmentation have been reported in workers; [AIHA] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; Can be absorbed through skin; May cause skin sensitization; [MSDSonline]

Hazard Classes and Categories · 3 Einträge

Acute Tox. 4 (87.7%)

Acute toxicity (ingestion) - category 4

Acute toxicity (Dermal) - Category 3

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

0.18 [mg/m3]

2.0 [mg/m3]

160 [mg/m3]

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
UN 2923 8/PG 3
hs_code
29072900
RTECS-Nr.
UX1400000
risk_code
22-34-43-21-51/53-21/22-39/23/24/25-20/21/22-10-50/53

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationNaturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.

Verwendung und Herstellung

UsesUsed to inhibit polymerization of styrene-butadiene and other olefins; [Hawley]
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesPigment
Industry UsesChemical reaction regulator
General Manufacturing Information · 2 Einträge

Printing Ink Manufacturing

1,2-Benzenediol, 4-(1,1-dimethylethyl)-: ACTIVE

Anwendungen · 1 Eintrag

BeschreibungPara-tertiary butyl catechol is specially prepared by reacting the impure catechol fraction with tertiary butyl alcohol. Used for its various properties (inhibition of polymerization and as an antioxidizing agent) in the manufacture of rubber, plastics and paints, in the preparation of petrolatum products, and as an antioxidant in oils, it may induce vitiligo.

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