Benzenepropanal, alpha,alpha,3-trimethyl-

HCID 13797308CAS 107737-97-3

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Grundinformationen

Standard-SMILES: Cc1cccc(CC(C)(C)C=O)c1
InChIKey: OZGQYEVKWKGACN-UHFFFAOYSA-N
Summenformel: C12H16O
Durchschnittliche Molmasse: 176,25 g/mol
Monoisotopische Masse: 176,12011513

Namen und Bezeichner

Bevorzugter Name: Benzenepropanal, alpha,alpha,3-trimethyl-
IUPAC: 2,2-dimethyl-3-(3-methylphenyl)propanal

Namen und Synonyme

107737-97-3DTXSID101020614Benzenepropanal, .alpha.,.alpha.,3-trimethyl-RefChem:563563DTXCID101478376Benzenepropanal, alpha,alpha,3-trimethyl-600-851-32,2-dimethyl-3-(3-methylphenyl)propanal2,2-dimethyl-3-(3-methylphenyl)-propionaldehydeSCHEMBL1697989SCHEMBL29845719AKOS023879665

Weitere Namen anzeigen

NS00077780Benzenepropanal, I+/-,aI+/-,a3-atrimethyl-EN300-1218100F2147-6233

Datenbank-Bezeichner

CAS: 107737-97-3
PubChem CID: 13797308
DTXSID: DTXSID101020614
EC Number: 600-851-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 172

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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

P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 25 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzenepropanal, .alpha.,.alpha.,3-trimethyl-

Benzenepropanal, .alpha.,.alpha.,3-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanal, .alpha.,.alpha.,3-trimethyl- 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.

Other Safety InformationEvaluation - Phenyl propanaldehydes

Hazard Classes and CategoriesAcute Tox. 4 (100%)