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:

905e

Functional Class: Food Additives
GLAZING_AGENT
RELEASE_AGENT

From apps.who.int


Evaluations

Evaluation year: 2002
ADI: 0-10 mg/kg bw
Meeting: 44
Specs Code: R
Comments: Including P70(H) oil
Report: TRS 913-JECFA 59/11
Tox Monograph: FAS 50-JECFA 59/13
Specification: COMPENDIUM ADDENDUM 10/FNP 52 Add.10/17. R; FAO JECFA Monographs 1 vol.2/377

From apps.who.int



GSFA Provisions for MINERAL OIL (MEDIUM- AND LOW-VISCOSITY, CLASS I)

Number Food Category Max Level Notes
07.1.1

Breads and rolls

3,000 mg/kg Note 36,Note 126
05.0

Confectionery

2,000 mg/kg Note XS309R,Note XS87,Note 3,Note XS141,Note XS86,Note XS105

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