4-Hydroxybenzaldehyd
4-Hydroxybenzaldehyde
Grundinformationen
- CAS
123-08-0- Standard-SMILES
O=Cc1ccc(O)cc1- InChIKey
RGHHSNMVTDWUBI-UHFFFAOYSA-N- Summenformel
- C7H6O2
- Durchschnittliche Molmasse
- 122,12 g/mol
- Monoisotopische Masse
- 122,03677943
Überblick
4-hydroxybenzaldehyde is a hydroxybenzaldehyde that is benzaldehyde substituted with a hydroxy group at position C-4. It has a role as an EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor, a mouse metabolite and a plant metabolite.
Namen und Bezeichner
- Bevorzugter Name
- 4-Hydroxybenzaldehyde
- IUPAC
- 4-hydroxybenzaldehyde
- Lokaler Name
- 4-Hydroxybenzaldehyd
- Englischer Name
- 4-Hydroxybenzaldehyde
- Summenformel
- C7H6O2
- Molmasse
- 122.12
Namen und Synonyme
4-hydroxybenzaldehydep-Hydroxybenzaldehyde123-08-04-Formylphenolp-FormylphenolBenzaldehyde, 4-hydroxy-p-OxybenzaldehydeParahydroxybenzaldehydePara-HydroxybenzaldehydeFEMA NO. 3984NSC-2127O1738X3Y38
Weitere Namen anzeigen
PHBPARA HYDROXY BENZALDEHYDEFEMA 39844-Hydroxybenzaldehyde ,99%Hydroxy benzaldehyd
DTXSID8059552CHEBI:17597RefChem:99272DTXCID7033787204-599-14-Hydroxy benzaldehydeBenzaldehyde, p-hydroxy-4-HYDROXY-BENZALDEHYDE
Datenbank-Bezeichner
- CAS
123-08-0- PubChem CID
- 126
- DTXSID
DTXSID8059552- ChEMBL
CHEMBL14193- ChEBI
CHEBI:17597- UNII
- O1738X3Y38
- EC Number
- 204-599-1
- Nikkaji
- J1.156.979J、J43.312H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 93,1
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Benzaldehydes
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Fragrances
Fragrance Ingredient (4-Hydroxybenzaldehyde) -> IFRA transparency List
Fragrance
LogP
1.35
1.35
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
8.45 mg/mL at 25 °C
slightly soluble in water; soluble in organic solvents
freely soluble (in ethanol)
Endocrine DisruptorsPotential endocrine disrupting compound
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Not Classified
Aggregated GHS information provided per 1647 reports by companies from 13 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Benzaldehyde, 4-hydroxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzaldehyde, 4-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzaldehyde, 4-hydroxy- 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)
REACH registered substance: 4-hydroxybenzaldehyde (EC: 204-599-1)
4-Hydroxybenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29124900
- RTECS-Nr.
- CU6475000
- risk_code
- 36/37/38-R36/37/38
Chemie und Industrie
Verwendung und Herstellung
UsesPresent in many plants in small amounts; [Merck Index] Used as flavoring agent or adjuvant; [FDA] Used to make pharmaceuticals; [Hawley]
U.S. Production2023: 87,300 lb
Industry UsesIntermediate
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzaldehyde, 4-hydroxy-: ACTIVE
Anwendungen
OccurrenceIt is found as a volatile in several food products, including cherries, grapes, papayas, tomatoes, cheese, beer, rum, brandy, wine, tea and peanuts. Occurs in the form of esters in several plants, notably in wintergreen leaves and the bark of sweet birch.
Verwenden4-Hydroxybenzaldehyde maintains bactericidal activity when tested against certain bacteria strains. It also displays antioxidant potential when analyzed through assay. It is widely used starting material for polymers and pharmaceuticals.
Darstellung
synthetischep-Hydroxybenzaldehyde is prepared by heating sodium phenolate with carbon dioxide under pressure.
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