3-Methylbrenzcatechin

3-Methylcatechol

HCID 340CAS 488-17-5
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Grundinformationen

Standard-SMILES
Cc1cccc(O)c1O
InChIKey
PGSWEKYNAOWQDF-UHFFFAOYSA-N
Summenformel
C7H8O2
Durchschnittliche Molmasse
124,14 g/mol
Monoisotopische Masse
124,05242949

Namen und Bezeichner

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

Namen und Synonyme

3-methylcatechol3-methylbenzene-1,2-diol488-17-52,3-dihydroxytoluene1,2-Benzenediol, 3-methyl-1,2-Dihydroxy-3-methylbenzene2,3-Toluenediol3-Methyl-1,2-dihydroxybenzene0HUZ4Q9R8CCHEBI:18404NSC-66523RefChem:25867
Weitere Namen anzeigen
NSC 66523-d32,3-Toluenediol-d3METHYLCATECHOL, 3-3-Methylcatechol-d33-Methylcatechol>
207-672-63-Methylpyrocatechol3-Methyl-1,2-benzenediolDihydroxytoluenePyrocatechol, 3-methyl-Catechol, 3-methyl-3-METHYL-BENZENE-1,2-DIOLMFCD00016435

Datenbank-Bezeichner

CAS
488-17-5
PubChem CID
340
DTXSID
DTXSID9060071
ChEMBL
CHEMBL1173328
ChEBI
CHEBI:18404
UNII
0HUZ4Q9R8C
EC Number
207-672-6
Nikkaji
J46.544E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,8
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

Boiling Point241
Melting Point68
Kovats Retention Index · 2 Einträge

1263；1268.8；1263.5

2627

Physikochemische Eigenschaften

Schmelzpunkt
65 · 65-68 °C(lit.)
Siedepunkt
241 °C · 241 °C(lit.)
Dichte
1.1006 · 1.1006 (rough estimate)
Brechungsindex
1.5286 · 1.5286 (estimate)
Flammpunkt
140 °C · 140 °C
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (18.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (14.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.9%): 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 48 reports by companies from 7 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 Information1,2-Benzenediol, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (18.8%)；Acute Tox. 4 (16.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (97.9%)；Acute Tox. 4 (14.6%)；STOT SE 3 (97.9%)

Regulatorische Informationen

Regulatory Information1,2-Benzenediol, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
2811
hs_code
29072990
RTECS-Nr.
UX1910000
risk_code
36/37/38

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1,2-Benzenediol, 3-methyl-: ACTIVE

Anwendungen

VerwendenA novel enzyme inhibitor agent

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A methylcatechol carrying a methyl substituent at position 3. It is a xenobiotic metabolite produced by some bacteria capable of degrading nitroaromatic compounds present in pesticide-contaminated soil samples.

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