p-Tolylacetaldehyd

Lilac acetaldehyde

HCID 61006CAS 104-09-6

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Grundinformationen

Standard-SMILES: Cc1ccc(CC=O)cc1
InChIKey: CIXAYNMKFFQEFU-UHFFFAOYSA-N
Summenformel: C9H10O
Durchschnittliche Molmasse: 134,17 g/mol
Monoisotopische Masse: 134,07316494

Überblick

(4-Methylphenyl)acetaldehyde is a member of phenylacetaldehydes.

Namen und Bezeichner

Bevorzugter Name: Lilac acetaldehyde
IUPAC: 2-(4-methylphenyl)acetaldehyde
Lokaler Name: p-Tolylacetaldehyd
Englischer Name: p-Methylphenylacetaldehyde
Summenformel: C9H10O
Molmasse: 134.18

Namen und Synonyme

104-09-6(4-Methylphenyl)acetaldehyde2-(4-methylphenyl)acetaldehydep-TolylacetaldehydeP-METHYLPHENYLACETALDEHYDEBENZENEACETALDEHYDE, 4-METHYL-Lilac acetaldehyde4-MethylbenzeneacetaldehydeAcetaldehyde, p-tolyl-FEMA No. 3071Methylphenylacetaldehyde, p-EINECS 203-173-2

Weitere Namen anzeigen

FEMA 3071Tolylacetaldehydp-Tolylacetaldehyd4-tolyacetaldehyde4-TOLYLACETALDEHYDEp-Toly-acetoaldehyde2-P-TOLYLACETALDEHYDE

7L6760H4LHDTXSID0051524P-TOLYLACETALDEHYDE [FHFI]RefChem:799163DTXCID6030073203-173-22-(p-tolyl)acetaldehydep-Tolyl-acetaldehyde

Datenbank-Bezeichner

CAS: 104-09-6
PubChem CID: 61006
DTXSID: DTXSID0051524
ChEBI: CHEBI:178623
UNII: 7L6760H4LH
EC Number: 203-173-2
Nikkaji: J70.250A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 101

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesViscosity

FragrancesFragrance Ingredient (p-Tolylacetaldehyde) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.010-1.016

Flavoring AgentsEU Flavoring substances

Solubility · 3 Einträge

1162 mg/L @ 20 °C (exp)

Insoluble in water; soluble in oils

Miscible at room temperature (in ethanol)

Physikochemische Eigenschaften

Schmelzpunkt: 40 °C · 40°C
Siedepunkt: 221.5 °C · 221.5°C (estimate)
Dichte: 1.0052 · 1.0052
Brechungsindex: 1.5255 · 1.5255 (estimate)
FEMA: 3071 · 3071 | P-TOLYLACETALDEHYDE
storage temp.: 2 · 2-8°C
Geruch (Odor): 10 % · at 10.00 % in dipropylene glycol. fresh sweet green cortex lilac narcissus nutty phenolic fruity cherry
Geruchsart: green
JECFA Number: 1023 · 1023
Kosmetik-Inhaltsstoffe Funktionen: HAIR DYEING
LogP: 2.24 · 2.24
EPA chemische Informationen: 4 · Benzeneacetaldehyde, 4-methyl- (104-09-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H317 (89.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 356 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzeneacetaldehyde, 4-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Benzeneacetaldehyde, 4-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzeneacetaldehyde, 4-methyl-: Environment tier I assessment

Hazard Classes and CategoriesSkin Sens. 1A (89.3%)

Sicherheitsdaten

tsca: TSCA listed

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use Classification · 4 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBenzeneacetaldehyde, 4-methyl-: ACTIVE

Darstellung · 1 Eintrag

synthetischeFrom p-methylbenzaldehyde; also from p-methylbenzyl chloride and hexamethylene tetramine.The methods of preparation correspond closely to those of phenylacetaldehyde. Thus, the compound can be prepared by glycidic ester synthesis from 4-methylbenzaldehyde and chloroacetate ester, by hydroformylation of 4-methylbenzylhalide with Co2(CO)8Na2CO3 in acetonitrile, or by oxidation of 4-methylstyrene.