5-Methylresorcin

Orcinol

HCID 10436CAS 504-15-4

Grundinformationen

Standard-SMILES
Cc1cc(O)cc(O)c1
InChIKey
OIPPWFOQEKKFEE-UHFFFAOYSA-N
Summenformel
C7H8O2
Durchschnittliche Molmasse
124,14 g/mol
Monoisotopische Masse
124,0524295

Überblick

Orcinol is a 5-alkylresorcinol in which the alkyl group is specified as methyl. It has a role as an Aspergillus metabolite. It is a 5-alkylresorcinol and a dihydroxytoluene.

Namen und Bezeichner

Bevorzugter Name
Orcinol
IUPAC
5-methylbenzene-1,3-diol
Lokaler Name
5-Methylresorcin
Englischer Name
Orcinol
Summenformel
C7H8O2
Molmasse
124.14

Namen und Synonyme

Orcinol3,5-Dihydroxytoluene504-15-45-METHYLRESORCINOL1,3-Dihydroxy-5-methylbenzeneOrcin5-Methyl-1,3-benzenediol1,3-Benzenediol, 5-methyl-3-Hydroxy-5-methylphenol3,5-Toluenediol534PMB3438DTXSID2060123
Weitere Namen anzeigen
Methylresorcinol5-Methyl-benzene-1,3-diolOrcilCrinoline
CHEBI:16536NSC-12441RefChem:168440DTXCID0040830207-984-25-methylbenzene-1,3-diol5-MethylresorcinResorcinol, 5-methyl-

Datenbank-Bezeichner

CAS
504-15-4
PubChem CID
10436
DTXSID
DTXSID2060123
ChEMBL
CHEMBL110059
ChEBI
CHEBI:16536
UNII
534PMB3438
EC Number
207-984-2
Nikkaji
J6.215D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,6
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

Chemical ClassesOther Classes -> Phenols
SpringerMaterials PropertiesBoiling point
Vapor Pressure0.0028 [mmHg]
Physical DescriptionSolid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
106 · 106-112 °C(lit.)
Siedepunkt
290 °C · 290 °C
Dichte
1.29 · 1.2900
Brechungsindex
1.4922 · 1.4922 (estimate)
Flammpunkt
159 °C · 159 °C
storage temp.
20 °C · Store at <= 20°C.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 66 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 1,3-Benzenediol, 5-methyl-

Orcinol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards Summary · 1 Eintrag

Causes convulsions and coma in subcutaneous lethal-dose studies of guinea pigs and rats; [RTECS] A skin and strong eye irritant; Harmful by ingestion; Prolonged or repeated exposure may cause eye injury; [Sigma-Aldrich MSDS] See 2-Methyl-1,4-hydroquinone, 1,3-Benzenediol, 2-methyl-, Resorcinol, and Cresol, all isomers.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
2811
hs_code
29072900
RTECS-Nr.
VH2100000
risk_code
22-36/37/38-41-37/38-20/21/22

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 1 Eintrag

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant &amp; Hackh&apos;s Chemical Dictionary, 5th ed, p301, p499)

Verwendung und Herstellung

UsesFound in many lichen species; Used as a reagent for pentoses, lignin, beet sugar, saccharoses, arabinose, and diastase; [Merck Index]
General Manufacturing Information1,3-Benzenediol, 5-methyl-: ACTIVE
Anwendungen · 1 Eintrag

VerwendenOrcinol can be used to synthesize:Orcinol-containing azacryptands for use in optical amplifiers and light-emitting devices.Ternary co-crystal with 4,4′-bipyridine.Low-density carbon aerogels in the presence of formaldehyde.PEG-orcinol coumarins with potent tyrosinase inhibitory activity.

Darstellung · 1 Eintrag

synthetischeOrcinol has been isolated from numerous lichen fungi (Robiquet, 1829) and can be synthesized by decarboxylation of orsellinic acid in Umbilicaria papulosa and Gliocladium roseum (Pettersson, 1965; Mosbach and Ehrensvard, 1966).Orcinol was first prepared by dehydroacetic acid, a conversion that involved ring-opening of the pyrone to a triketone. This early experiment helped establish the rich condensation chemistry of polyketides. It can be obtained by fusing extract of aloes with potash, followed by acidification.US3865884A: Preparation of orcinol

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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: Orcinol is a 5-alkylresorcinol in which the alkyl group is specified as methyl. It has a role as an Aspergillus metabolite. It is a 5-alkylresorcinol and a dihydroxytoluene.

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