Octyl-3,4,5-trihydroxybenzoat

Octyl Gallate

HCID 61253CAS 1034-01-1
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Grundinformationen

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
ChEBI
CHEBI:83631
UNII
079IIA2811
EC Number
213-853-0
Nikkaji
J12.253J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,7
Polarare Oberfläche (TPSA)
87 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
9
Schwere Atome
20

Experimentelle und physikochemische Eigenschaften

LogP · 2 Einträge

3.66

3.66

Food AdditivesANTIOXIDANT -> FDA Substance added to food
Solubility · 2 Einträge

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 · 2 Einträge

Between 99 °C and 102 °C after drying at 90 °C for six hours

94 - 95 °C

Physical Description · 2 Einträge

White to creamy-white odourless solid

Solid

Physikochemische Eigenschaften

Schmelzpunkt
101 · 101-104 °C(lit.)
Siedepunkt
262.5 °C · 262.5°C (estimate)
Dichte
1.0984 · 1.0984 (rough estimate)
Brechungsindex
1.62 · 1.6200 (estimate)
storage temp.
30 °C · Store below +30°C.
Löslichkeit
2.5 %, · soluble2.5%, clear, colorless (AcOH (MEOH))

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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 · 3 Einträge

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 · 3 Einträge

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
LD50 orally in Rabbit: 1960 mg/kg

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 · 2 Einträge

Food additives

Food Additives -> ANTIOXIDANT -> JECFA Functional Classes

General Manufacturing InformationBenzoic acid, 3,4,5-trihydroxy-, octyl ester: ACTIVE
Anwendungen · 2 Einträge

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.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A gallate ester obtained by condensation of the carboxy group of gallic acid with the hydroxy group of octanol.

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