Grundinformationen
- Standard-SMILES
CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1- InChIKey
RPWFJAMTCNSJKK-UHFFFAOYSA-N- Summenformel
- C19H30O5
- Durchschnittliche Molmasse
- 338,4 g/mol
- Monoisotopische Masse
- 338,20932406
Überblick
Dodecyl gallate is a gallate ester.
Namen und Bezeichner
- Bevorzugter Name
- Dodecyl Gallate
- IUPAC
- dodecyl 3,4,5-trihydroxybenzoate
- Lokaler Name
- Dodecyl-3,4,5-trihydroxybenzoat
- Englischer Name
- Dodecyl gallate
- Summenformel
- C19H30O5
- Molmasse
- 338.44
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1166-52-5- PubChem CID
- 14425
- DTXSID
DTXSID0048189- ChEMBL
CHEMBL16121- ChEBI
CHEBI:175304- UNII
- 45612DY463
- EC Number
- 214-620-6
- Nikkaji
- J87.850B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,8
- Polarare Oberfläche (TPSA)
- 87 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 13
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 322
Experimentelle und physikochemische Eigenschaften
Cosmetics
Cosmetic ingredients (Dodecyl Gallate) -> CIR (Cosmetic Ingredient Review)
Antioxidant
Melting Point
Between 95 °C and 98 °C after drying at 90 °C for six hours
96 - 97 °C
Physical Description
White or creamy-white odourless solid
Solid
Physikochemische Eigenschaften
- Schmelzpunkt
- 94 · 94-97 °C (lit.)
- Siedepunkt
- 394.57 °C · 394.57°C (rough estimate)
- Dichte
- 1.0677 · 1.0677 (rough estimate)
- Brechungsindex
- 1.612 · 1.6120 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Very slightly soluble or practically insoluble in water, freely soluble in ethanol (96 per cent), slightly soluble in methylene chloride.
- pka
- 7.93 · 7.93±0.25(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Almost white
- Geruch (Odor)
- 100 % · at 100.00%. odorless
- Wasserlöslichkeit
- practically insoluble
- BRN
- 2701981 · 2701981
- Major Application
- cleaning productscosmeticsfood and beveragespersonal care
- Kosmetik-Inhaltsstoffe Funktionen
- ANTIOXIDANT
- InChI
- 1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3
- InChIKey
- RPWFJAMTCNSJKK-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1
- LogP
- 6.365 · 6.365 (est)
- CAS Datenbank
- 1166 · 1166-52-5(CAS DataBase Reference)
- NIST chemische Informationen
- Gallic acid, n-dodecyl ester(1166-52-5)
- EPA chemische Informationen
- 3 · Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester (1166-52-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Chemical: Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester
Regulation (EC) No 1333/2008 (amended)
Dodecyl gallate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Sens. 1 (100%)
Skin sensitisation - category 1
Skin Sens. 1
Toxikologische Informationen
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- 3335
- hs_code
- 29182950
- RTECS-Nr.
- DH9100000
- risk_code
- 43
- Toxizität
- LD50 orally in Rabbit: 5000 mg/kg
- hazard_code
- Xi
- safety_code
- 24-37
- Speicherklasse
- 13 - Non Combustible Solids
- Hazard Classifications
- Skin Sens. 1
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Use Classification
Food additives
Food Additives -> ANTIOXIDANT -> JECFA Functional Classes
Food Additives -> ANTIOXIDANT -> JECFA Functional Classes
Cosmetics -> Antioxidant
Anwendungen
BeschreibungThis gallate ester (E 310) is an antioxidant added to foods and cosmetics to prevent oxidation of unsaturated fatty acids. Cases have been reported in workers in the food industry, gallate being contained in margarine. It is also present in washing powder.
VerwendenDodecyl Gallate is an antioxidant used in cream cheese, instant mashed potatoes, margarine, fats, and oils.
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