4-Methylbrenzcatechin

4-Methylcatechol

HCID 9958CAS 452-86-8

Grundinformationen

Standard-SMILES
Cc1ccc(O)c(O)c1
InChIKey
ZBCATMYQYDCTIZ-UHFFFAOYSA-N
Summenformel
C7H8O2
Durchschnittliche Molmasse
124,14 g/mol
Monoisotopische Masse
124,05242949

Namen und Bezeichner

Bevorzugter Name
4-Methylcatechol
IUPAC
4-methylbenzene-1,2-diol
Lokaler Name
4-Methylbrenzcatechin
Englischer Name
4-Methylcatechol
Summenformel
C7H8O2
Molmasse
124.14

Namen und Synonyme

4-Methylcatechol452-86-84-methylbenzene-1,2-diol3,4-DihydroxytolueneHomocatechol4-Methyl-1,2-benzenediolHomopyrocatecholp-Methylcatechol1,2-Benzenediol, 4-methyl-Toluene-3,4-diol1,2-Dihydroxy-4-methylbenzenep-Methylpyrocatechol
Weitere Namen anzeigen
4-METHYLPYROCATECHOL4-Methycatechol4-Methylcatehol
4-Methyl-1,2-dihydroxybenzenePyrocatechol, 4-methyl-2-Hydroxy-4-methylphenolDTXSID5020861CHEBI:1725412GLI7JGB3DTXCID30861NSC-17489

Datenbank-Bezeichner

CAS
452-86-8
PubChem CID
9958
DTXSID
DTXSID5020861
ChEMBL
CHEMBL158766
ChEBI
CHEBI:17254
UNII
12GLI7JGB3
EC Number
207-214-5
Nikkaji
J5.755J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,4
Polarare Oberfläche (TPSA)
40,5 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

LogP · 2 Einträge

1.37

1.37

Boiling Point251
Melting Point · 2 Einträge

65

65 °C

Vapor Pressure0.0028 [mmHg]
Physical Description · 2 Einträge

White or light brown solid; [Alfa Aesar MSDS]

Solid

Ionization Efficiency · 6 Einträge

Positive

-0.28

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Physikochemische Eigenschaften

Schmelzpunkt
67 · 67-69 °C (lit.)
Siedepunkt
251 °C · 251 °C (lit.)
Dichte
1.129 g/mL · 1.129 g/mL at 25 °C (lit.)
Brechungsindex
1.5425 · 1.5425 (estimate)
Flammpunkt
140 °C · 140 °C
storage temp.
Keep in dark place,Inert atmosphere,Room temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (11.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (10.2%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (98.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 59 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 Information4-Methylcatechol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; Harmful by inhalation; Toxic by ingestion and skin absorption; [Alfa Aesar MSDS] See Catechol.
Hazard Classes and CategoriesAcute Tox. 4 (11.9%);Acute Tox. 4 (10.2%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (98.3%)

Regulatorische Informationen

Regulatory Information4-Methylcatechol: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
ridadr
2811
hs_code
29072990
RTECS-Nr.
UX1915000
risk_code
36/37/38
hazard_code
Xi

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites4-methyl-hydroquinone is a known human metabolite of 4-Methylphenol.
MeSH Pharmacological Classification · 3 Einträge

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

Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.

Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.

Anwendungen · 1 Eintrag

Verwenden4-Methylcatechol is used to synthesize antimicrobial, antioxidant. It also acts as effective inhibitor. It can be used to produce 4-bromo-5-methyl-pyrocatechol. It Increases Brain-Derived Neurotrophic Factor Content and mRNA Expression in Cultured Brain Cells and in Rat Brain In Vivo.

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A methylcatechol having a single methyl substituent at the 4-position. It has been isolated from Picea abies.

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