3-Methylsalicylaldehyde (HCID 522777)

Überblick

3-methylsalicylaldehyde is a member of the class of benzaldehydes that is salicylaldehyde in which the hydrogen ortho- to the hydroxy group is substituted by a methyl group. It is a member of benzaldehydes and a member of phenols. It is functionally related to a salicylaldehyde.

Namen und Bezeichner

Bevorzugter Name: 3-Methylsalicylaldehyde
IUPAC: 2-hydroxy-3-methylbenzaldehyde
Englischer Name: 2-Hydroxy-3-methylbenzaldehyde
Summenformel: C8H8O2
Molmasse: 136.15

Namen und Synonyme

2-Hydroxy-3-methylbenzaldehyde3-Methylsalicylaldehyde824-42-03-methyl-2-hydroxybenzaldehyde3-methylsalicylic aldehydeCHEBI:20110DTXSID40335060RefChem:504356DTXCID40286149628-580-62-hydroxy-3-methyl-benzaldehyde2,3-Cresotaldehyde

Weitere Namen anzeigen

Methylate 153-Methylsalicylaldehyde>2-Hydroxy-3-methylbenzaldehyde2-Hydroxy-3-Methylbenzaldehyde 98%2-hydroxy-3-methylbenzenemethylaldehyde2,3-Cresotaldehyde, 2-Hydroxy-3-methylbenzaldehyde2,3-Cresotaldehyde, 2-Hydroxy-3-methylbenzaldehyde, 3-Methylsalicylaldehyde

MFCD00040798Benzaldehyde, 2-hydroxy-3-methyl-2-Hydroxy-3-methyl benzaldehydeBenzaldehyde, hydroxy-3-methyl-2,3-Cresotaldehyde (6CI,7CI,8CI); 2-Hydroxy-3-methylbenzaldehyde; 2-Hydroxy-m-tolualdehyde; 3-Methyl-2-hydroxybenzaldehyde; 3-Methylsalicylaldehyde; o-Homosalicylaldehydeo-Homosalicylaldehyde2-Hydroxy-m-tolualdehydebmse000843

Datenbank-Bezeichner

CAS: 824-42-0
PubChem CID: 522777
DTXSID: DTXSID40335060
ChEBI: CHEBI:20110
UNII: A3XGR23KX3
EC Number: 628-580-6
Nikkaji: J526.376J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 122

Physikochemische Eigenschaften

Schmelzpunkt: 17 °C · 17°C(lit.)
Siedepunkt: 204 °C/730 · 204 °C/730 mmHg (lit.)
Dichte: 1.123 g/mL · 1.123 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.564(lit.)
Flammpunkt: 190 °F · 190 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Liquid
pka: 8.52 · 8.52±0.10(Predicted)
Farbe: Clear pale yellow to orange
BRN: 1099377 · 1099377
InChI: InChI=1S/C8H8O2/c1-6-3-2-4-7(5-9)8(6)10/h2-5,10H,1H3
InChIKey: IPPQNXSAJZOTJZ-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=CC(C)=C1O
CAS Datenbank: 824 · 824-42-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
ridadr: NA 1993 / PGIII
hs_code: 29124990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Hydroxy-3-methylbenzaldehyde could be a useful antitumor and antiproliferative agent.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

7-Methyl (1H)indazole 2-(5-chloro-1H-1,3-benzodiazol-2-yl)-6-methylphenol 5-Chloromethyl-2-hydroxy-3-methyl-benzaldehyde Acetonitrile, (2-formyl-6-methylphenoxy)- (9CI)Ethyl 8-methyl-2-oxo-2H-chromene-3-carboxylate Ethyl 2,8-diMethyl-4-oxo-4H-chroMene-3-carboxylate 5-Bromo-2-hydroxy-3-methyl-benzonitrile 2-Hydroxy-3-methyl-5-nitro-benzaldehyde 4-Methoxy-5-methyl-2,3-dihydro-1H-inden-1-one

Anbieter50 Anbieter

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]

上海策嵘生物科技有限公司[email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A member of the class of benzaldehydes that is salicylaldehyde in which the hydrogen ortho- to the hydroxy group is substituted by a methyl group.