MINERAL OIL (MEDIUM- AND LOW-VISCOSITY, CLASS III)
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by European Union:
General Information
| Chemical Names: | MIXTURE OF HIGHLY REFINED PARAFFINIC AND NAPHTHENIC LIQUID HYDROCARBONS WITH BOILING POINT ABOVE 200 DEGREES C |
| CAS number: | 8012-95-1 |
| INS: | 905g |
| Functional Class: |
Food Additives GLAZING_AGENT RELEASE_AGENT |
From apps.who.int
Evaluations
| Evaluation year: | 2012 |
| Specs Code: | W |
| Comments: | The Committee concluded that the newly submitted data did not adequately address its previous requests for information on the relevance to humans of the response of F344 and Sprague-Dawley rats to mineral oil (medium and low viscosity) classes II and III. The studies were conducted with a single administration, and it was not possible to predict the concentration in the target organ (liver) at steady state, or the potential for accumulation, in humans. Information requested at the forty-fourth meeting on compositional factors of mineral oils that influence absorption and toxicity had not been provided for materials meeting the criteria of mineral oil (medium and low viscosity) classes II and III. The Committee noted that hydrocarbon deposits with carbon numbers consistent with mineral oils, including those of classes II and III, and associated lesions have been reported in human tissues, demonstrating the potential relevance to humans of the effects in the F344 rat. Because all blood levels were below the limit of detection in the single-dose human toxicokinetic study, it was not possible to reach conclusions on the rate of elimination of mineral oils in humans or on the concentration in the liver at steady state following prolonged exposure. Therefore, the new data did not provide information that would allow an ADI to be established based on internal exposure. Similarly, it was not possible to establish an ADI based on external dose in the absence of information on the relative accumulation potential of classes II and III mineral oils in humans compared with rats. The Committee noted that the temporary group ADI for mineral oil (medium and low viscosity) classes II and III had been established in 1995 and extended on a number of occasions. As data supporting the establishment of a full ADI had not been made available, the previously established temporary group ADI was withdrawn. |
| Report: | TRS 974 JECFA 76 |
| Specification: | Compendium of food additive specifications. FAO JECFA Monographs 13, 2012 |
From apps.who.int
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 68245 |
| IUPAC Name | 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride |
| InChI | InChI=1S/C15H10O7.ClH/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6;/h1-5H,(H5-,16,17,18,19,20,21);1H |
| InChI Key | FFNDMZIBVDSQFI-UHFFFAOYSA-N |
| Canonical SMILES | C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-] |
| Molecular Formula | C15H11ClO7 |
| Wikipedia | Delphinidin |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 338.696 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Complexity | 380.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B w O A A E A A A A A A A A A A A A A A A A A A A A A A A 0 Y I A A A A A A A A C R 9 A A A G g A A C A A A D A S A m A A w B s A A B k C I A q B S A A I C C A A k I A A A i A F G i M g N J z a G N R q C e W O l 4 B U L u Y f K 7 P z O I A A B C A A I Q A B A A A I Q A B C A A A A A A A A A A A = = |
| Topological Polar Surface Area | 122.0 |
| Monoisotopic Mass | 338.019 |
| Exact Mass | 338.019 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
From Pubchem
Food Additives Biosynthesis/Degradation
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Flavonoids |
| Subclass | Hydroxyflavonoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 7-hydroxyflavonoids |
| Alternative Parents |
|
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - Benzopyran - 1-benzopyran - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Phenoxide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Organoheterocyclic compound - Oxacycle - Polyol - Organic oxide - Organooxygen compound - Hydrochloride - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 7-hydroxyflavonoids. These are flavonoids that bear one hydroxyl group at the C-7 position of the flavonoid skeleton. |
From ClassyFire