3,4-Dimethylbenzaldehyde (HCID 22278)

Überblick

3,4-Dimethylbenzaldehyde is a carbonyl compound.

Namen und Bezeichner

Bevorzugter Name: 3,4-Dimethylbenzaldehyde
IUPAC: 3,4-dimethylbenzaldehyde
Lokaler Name: 3,4-Dimethylbenzaldehyd
Englischer Name: 3,4-Dimethylbenzaldehyde
Summenformel: C9H10O
Molmasse: 134.18

Namen und Synonyme

3,4-DIMETHYLBENZALDEHYDE5973-71-7Benzaldehyde, 3,4-dimethyl-16G1J12ARBDTXSID2041626DTXCID0021626DMB-aldehydeRefChem:91207227-770-24-Formyl-o-xyleneMFCD000166123,4-DiMethyl-Benzaldehyde

Weitere Namen anzeigen

3,4-Dimethyl34 DMB3,4-dimethyl-benzaldehyd3,4-dimethyl-benzadehydeDIMETHYLBENZALDEHYDE,3,4-3,4-demethyylbenzaldehyde

3,4 dimethyl benzaldehyde3,4-di-methylbenzaldehydeAKOS009075842EN300-22064o-Xylene-4-carboxaldehydeUNII-16G1J12ARBEINECS 227-770-23,4-Dimethyl benzaldehyde

Datenbank-Bezeichner

CAS: 5973-71-7
PubChem CID: 22278
DTXSID: DTXSID2041626
ChEMBL: CHEMBL3187739
ChEBI: CHEBI:167406
UNII: 16G1J12ARB
EC Number: 227-770-2
Nikkaji: J42.310F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 120

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt: 225 · 225-226 C
Siedepunkt: 226 °C · 226 °C (lit.)
Dichte: 1.012 g/mL · 1.012 g/mL at 25 °C (lit.)
Dampfdruck: 39 Pa · 39Pa at 25℃
Brechungsindex: 20 · n20/D 1.551(lit.)
Flammpunkt: 225 °F · 225 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Methanol (Slightly)
Aggregatzustand: Liquid
Wichte: 1.012 · 1.012
Farbe: Clear colorless to yellow
Wasserlöslichkeit: Soluble in ethanol, ether, toluene. Insoluble in water.
BRN: 1634270 · 1634270
Henry's Law Constant: 1.2 · 1.2×100 mol/(m3Pa) at 25℃, Wang et al. (2017)
InChI: 1S/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3
InChIKey: POQJHLBMLVTHAU-UHFFFAOYSA-N
SMILES: Cc1ccc(C=O)cc1C
LogP: 2.45 · 2.45
CAS Datenbank: 5973 · 5973-71-7(CAS DataBase Reference)
NIST chemische Informationen: 3 · Benzaldehyde, 3,4-dimethyl-(5973-71-7)
EPA chemische Informationen: 3 · Benzaldehyde, 3,4-dimethyl- (5973-71-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H315 (25%): 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 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Benzaldehyde, 3,4-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzaldehyde, 3,4-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 16-12-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/12006

Hazard Classes and CategoriesSkin Irrit. 2 (25%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29122990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 24/25-36/37-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 1,000,000 - <8,500,000 lb

Consumer UsesIntermediate

Industry UsesIntermediate

General Manufacturing Information · 2 Einträge

All Other Basic Organic Chemical Manufacturing

Benzaldehyde, 3,4-dimethyl-: ACTIVE

Anwendungen

Verwenden3,4-Dimethylbenzaldehyde is used as an additive for resins, agricultural intermediate and for flavor and fragrance, nucleation transparent agent.