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 350 DEGREES C
CAS number: 8012-95-1
INS:

905d

Functional Class: Food Additives
GLAZING_AGENT
RELEASE_AGENT
LUBRICANT

From apps.who.int


Evaluations

Evaluation year: 1995
ADI: 0-20 mg/kg bw
Meeting: 44
Specs Code: R
Comments: Including P100(H) oil
Report: TRS 859-JECFA 44/18
Tox Monograph: FAS 35-JECFA 44/193
Specification: COMPENDIUM ADDENDUM 12/FNP 52 Add. 12/67 (METALS LIMITS) (2004). R; FAO JECFA Monographs 1 vol.2/375

From apps.who.int



GSFA Provisions for MINERAL OIL (HIGH VISCOSITY)

Number Food Category Max Level Notes
07.0

Bakery wares

3,000 mg/kg Note 125
05.1

Cocoa products and chocolate products including imitations and chocolate substitutes

2,000 mg/kg Note 3,Note XS86,Note XS105,Note XS141,Note XS87
05.2

Confectionery including hard and soft candy, nougats, etc. other than food categories 05.1, 05.3 and 05.4

2,000 mg/kg Note 3,Note XS309R
05.4

Decorations (e.g. for fine bakery wares), toppings (non-fruit) and sweet sauces

2,000 mg/kg Note 3
08.3.3

Frozen processed comminuted meat, poultry, and game products

950 mg/kg Note 3
08.2.3

Frozen processed meat, poultry, and game products in whole pieces or cuts

950 mg/kg Note 3
06.1

Whole, broken, or flaked grain, including rice

800 mg/kg Note 98

From www.fao.org


Computed Descriptors

Download SDF
2D Structure
CID68245
IUPAC Name2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride
InChIInChI=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 KeyFFNDMZIBVDSQFI-UHFFFAOYSA-N
Canonical SMILESC1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-]
Molecular FormulaC15H11ClO7
WikipediaDelphinidin

From Pubchem


Computed Properties

Property Name Property Value
Molecular Weight338.696
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Complexity380.0
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 Area122.0
Monoisotopic Mass338.019
Exact Mass338.019
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count23
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count2

From Pubchem


Food Additives Biosynthesis/Degradation


Taxonomic Classification

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassFlavonoids
SubclassHydroxyflavonoids
Intermediate Tree NodesNot available
Direct Parent7-hydroxyflavonoids
Alternative Parents
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents3'-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
DescriptionThis 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