Basic information
- CAS
1166-52-5- Standard SMILES
CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1- InChIKey
RPWFJAMTCNSJKK-UHFFFAOYSA-N- Molecular formula
- C19H30O5
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.20932406
Overview
Dodecyl gallate is a gallate ester.
Names & identifiers
- Preferred name
- Dodecyl Gallate
- IUPAC
- dodecyl 3,4,5-trihydroxybenzoate
- English name
- Dodecyl gallate
- Molecular formula
- C19H30O5
- Molecular weight
- 338.44
Names & synonyms
Dodecyl gallateLauryl gallate1166-52-5Dodecyl 3,4,5-trihydroxybenzoateNipagallin LAProgallin LAGallic acid, dodecyl esterBENZOIC ACID, 3,4,5-TRIHYDROXY-, DODECYL ESTERGallic acid, lauryl esterantioxidant E 312antioxidant E-312E 312 antioxidant
Show more names
96-97℃3mg/kgprogallinlanipagallinladodecyl3,4,5-auryl gallate
E-312 antioxidantLauryl 3,4,5-trihydroxybenzoateDodecylester kyseliny galloveDTXSID0048189E3123,4,5-Trihydroxybenzoic acid, dodecyl esterNSC-133463INS NO.312
Database identifiers
- CAS
1166-52-5- PubChem CID
- 14425
- DTXSID
DTXSID0048189- ChEMBL
CHEMBL16121- ChEBI
CHEBI:175304- UNII
- 45612DY463
- EC Number
- 214-620-6
- Nikkaji
- J87.850B
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 322
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Dodecyl Gallate) -> CIR (Cosmetic Ingredient Review)
Antioxidant
Food AdditivesANTIOXIDANT -> FDA Substance added to food
SolubilityInsoluble in water, freely soluble in ethanol and ether
Endocrine DisruptorsPotential endocrine disrupting compound
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
Collision Cross Section183.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0048189]
Physicochemical properties
- Melting point
- 94 · 94-97 °C (lit.)
- Boiling point
- 394.57 °C · 394.57°C (rough estimate)
- Density
- 1.0677 · 1.0677 (rough estimate)
- refractive index
- 1.612 · 1.6120 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 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)
- form
- Solid
- color
- White to Almost white
- Odor
- 100 % · at 100.00%. odorless
- Water Solubility
- practically insoluble
- Sensitive
- Air Sensitive
- BRN
- 2701981 · 2701981
- Major Application
- cleaning productscosmeticsfood and beveragespersonal care
- Cosmetics Ingredients Functions
- 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 DataBase Reference
- 1166 · 1166-52-5(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- DODECYL GALLATE
- EWG's Food Scores
- 1 · 1-3
- FDA UNII
- 45612 DY463 · 45612DY463
- NIST Chemistry Reference
- Gallic acid, n-dodecyl ester(1166-52-5)
- EPA Substance Registry System
- 3 · Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester (1166-52-5)
- UNSPSC Code
- 85151701 · 85151701
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 24 · 24-37
- RIDADR
- 3335 · 3335
- WGK Germany
- 1 · 1
- RTECS
- 9100000 · DH9100000
- TSCA
- TSCA listed
- HS Code
- 29182950 · 29182950
- Storage Class
- 13 · 13 - Non Combustible Solids
- Hazard Classifications
- 1 · Skin Sens. 1
- Toxicity
- 50 orally · LD50 orally in Rabbit: 5000 mg/kg
Safety & regulation
GHS classification
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)
Hazard information
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
Toxicology
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Safety data
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- DH9100000
- ridadr
- 3335
- hs_code
- 29182950
- Toxicity
- LD50 orally in Rabbit: 5000 mg/kg
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24-37
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H317
- Hazard Classifications
- Skin Sens. 1
- Precautionary statements
- P280
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
UsesCIR ingredient: Dodecyl Gallate
Use Classification
Food additives
Food Additives -> ANTIOXIDANT -> JECFA Functional Classes
Food Additives -> ANTIOXIDANT -> JECFA Functional Classes
Cosmetics -> Antioxidant
General Manufacturing InformationBenzoic acid, 3,4,5-trihydroxy-, dodecyl ester: ACTIVE
Applications
DescriptionThis 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.
UsesDodecyl Gallate is an antioxidant used in cream cheese, instant mashed potatoes, margarine, fats, and oils.
UsesDodecyl gallate is an antioxidant in cosmetic and pharmaceutical creams and emulsions, various fats, oils, waxes, and foods, such as margarine.
UsesDodecyl 3,4,5-Trihydroxybenzoate is used in method for stabilizing the pH of an aqueous compound comprising drug.
General DescriptionLauryl gallate is a major monomer flavanol found in green tea and shows antioxidant activity in polymers.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Additional notes
DefinitionChEBI: Dodecyl gallate is a gallate ester.
Related reactions
3 records
Compound notes
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