Octyl-3,4,5-trihydroxybenzoat
Octyl Gallate
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Grundinformationen
- CAS
1034-01-1- Standard-SMILES
CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1- InChIKey
NRPKURNSADTHLJ-UHFFFAOYSA-N- Summenformel
- C15H22O5
- Durchschnittliche Molmasse
- 282,33 g/mol
- Monoisotopische Masse
- 282,1467238
Überblick
Octyl gallate is a gallate ester obtained by condensation of the carboxy group of gallic acid with the hydroxy group of octanol. It has a role as a hypoglycemic agent, a plant metabolite and a food antioxidant.
Namen und Bezeichner
- Bevorzugter Name
- Octyl Gallate
- IUPAC
- octyl 3,4,5-trihydroxybenzoate
- Lokaler Name
- Octyl-3,4,5-trihydroxybenzoat
- Englischer Name
- Octyl gallate
- Summenformel
- C15H22O5
- Molmasse
- 282.33
Namen und Synonyme
Octyl gallate1034-01-1Octyl 3,4,5-trihydroxybenzoaten-Octyl gallateProgallin OStabilizer GA 8Gallic acid, octyl esterGallic acid octyl esterBENZOIC ACID, 3,4,5-TRIHYDROXY-, OCTYL ESTEROktylester kyseliny galloveDTXSID4040713n-Octyl ester of 3,4,5-trihydroxybenzoic acid
Weitere Namen anzeigen
Stabilizer GA-8OCTYLGALLATE(RG)Gallic acid octyln-OctylGallate>Octyl gallate CRSn-Octyl gallate, 98+%
DTXCID2020713E311NSC-97419079IIA2811INS NO.311PPC-17CHEBI:83631INS-311
Datenbank-Bezeichner
- CAS
1034-01-1- PubChem CID
- 61253
- DTXSID
DTXSID4040713- ChEMBL
CHEMBL277346
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 87 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 269
Experimentelle und physikochemische Eigenschaften
LogP
3.66
3.66
Food AdditivesANTIOXIDANT -> FDA Substance added to food
Solubility
Insoluble in water, freely soluble in ethanol, ether and propane-1,2-diol
0.036 mg/mL at 20 °C
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point
Between 99 °C and 102 °C after drying at 90 °C for six hours
94 - 95 °C
Physical Description
White to creamy-white odourless solid
Solid
Collision Cross Section171.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4040713]
Physikochemische Eigenschaften
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
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 13.4% (11 of 82) of reports.
Warning
H302 (86.6%): Harmful if swallowed [Warning Acute toxicity, oral]
Gefahrenhinweise
Regulatory Information
Chemical: Benzoic acid, 3,4,5-trihydroxy-, octyl ester
Regulation (EC) No 1333/2008 (amended)
Octyl Gallate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Acute Tox. 4 (86.6%)
Acute toxicity - category 4
Acute Tox. 4 *
Toxikologische Informationen
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 2918 29 00
- RTECS-Nr.
- LW8225000
- risk_code
- 22-43
- Toxizität
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationSubstances capable of inhibiting, retarding or arresting the process of fermentation, acidification or other deterioration of foods.
Cellular LocationsMembrane
Verwendung und Herstellung
Use Classification
Food additives
Food Additives -> ANTIOXIDANT -> JECFA Functional Classes
General Manufacturing InformationBenzoic acid, 3,4,5-trihydroxy-, octyl ester: ACTIVE
Anwendungen
BeschreibungDuring the 1940s, propyl gallate and several other alkyl gallates were allowed for use in foods in a number of countries. Since gallic acid contains three phenolic hydroxyl groups, it is a rather potent antioxidant; however, the propyl ester has a significant degree of water solubility. As a consequence, propyl gallate tends to partition into any water phase which may be present and to complex with iron salts to give bluish black colors. Also, its relatively poor resistance to heat degradation makes it ineffective for baking and frying applications. The higher alkyl gallates (butyl and octyl) are more fat soluble.
VerwendenOctyl gallate is an antioxidant that is used as a preservation agent in a wide variety of foods, oils, and cosmetics.
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