5-Methylsalicylaldehyd

Benzaldehyde, 2-hydroxy-5-methyl-

HCID 69184CAS 613-84-3
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Grundinformationen

Standard-SMILES
Cc1ccc(O)c(C=O)c1
InChIKey
ILEIUTCVWLYZOM-UHFFFAOYSA-N
Summenformel
C8H8O2
Durchschnittliche Molmasse
136,15 g/mol
Monoisotopische Masse
136,05242949

Namen und Bezeichner

Bevorzugter Name
Benzaldehyde, 2-hydroxy-5-methyl-
IUPAC
2-hydroxy-5-methylbenzaldehyde
Lokaler Name
5-Methylsalicylaldehyd
Englischer Name
5-Methylsalicylaldehyde
Summenformel
C8H8O2
Molmasse
136.15

Namen und Synonyme

2-Hydroxy-5-methylbenzaldehyde613-84-35-MethylsalicylaldehydeBenzaldehyde, 2-hydroxy-5-methyl-5-Methylsalicylic aldehydeNSC 97517EINECS 210-357-6DTXSID7060625RefChem:117105DTXCID0043006210-357-6ILEIUTCVWLYZOM-UHFFFAOYSA-N
Weitere Namen anzeigen
2-hydroxy-5-methyl-benzaldehydASISCHEM D292462-Formyl-4-methylphenol5-Methylsalicylaldehyde>5-METHYLSALICYLALDEHYDE 97+%5-Methyl-2-hydroxybenzaldehyde
InChI=1/C8H8O2/c1-6-2-3-8(10)7(4-6)5-9/h2-5,10H,1H2,5-Cresotaldehyde2-Hydroxy-5-Methyl-BenzaldehydeMFCD00274297PZU8U5VYK2NSC-97517NSC975175methylsalicylaldehyde

Datenbank-Bezeichner

CAS
613-84-3
PubChem CID
69184
DTXSID
DTXSID7060625
UNII
PZU8U5VYK2
EC Number
210-357-6
Nikkaji
J94.920E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,7
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

1402

1750

Physikochemische Eigenschaften

Schmelzpunkt
54 · 54-57 °C(lit.)
Siedepunkt
217 °C · 217 °C(lit.)
Dichte
1.0913 · 1.0913
Brechungsindex
1.547 · 1.5470 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit
soluble in Methanol

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 43 reports by companies from 6 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 Information · 2 Einträge

Chemical: Benzaldehyde, 2-hydroxy-5-methyl-

Benzaldehyde, 2-hydroxy-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: Benzaldehyde, 2-hydroxy-5-methyl-

Benzaldehyde, 2-hydroxy-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29124990
risk_code
36/37/38
hazard_code
Xi
hazard_note
Irritant

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzaldehyde, 2-hydroxy-5-methyl-: ACTIVE

Anwendungen

Verwenden2-Hydroxy-5-methylbenzaldehyde is used in preparation of novel 2-Phenylcyclopropanamine derivatives as Lysine-specific Demethylase 1 inhibitors (LSD1-inhibitors) for prevention or treatment of primary brain tumor.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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