ULTRAMARINE BLUE (CED0014016)

Record Information

Version

1.0

Creation Date

2016-05-19 02:30:09 UTC

Update Date

2026-04-16 22:40:50 UTC

Accession Number

CHEM007780

Identification

Common Name

ULTRAMARINE BLUE

Class

Small Molecule

Description

ULTRAMARINE BLUE is an inorganic compound with the chemical formula Al6Na8O24S3Si6. ULTRAMARINE BLUE belongs to the post-transition metal silicates, a subclass of post-transition metal oxoanionic compounds within the inorganic compounds. With an average molecular weight of 994.47 g/mol, ULTRAMARINE BLUE is a heavy molecule. This substance is utilized as an industrial dye and an industrial pigment. It is used in various plastics, including polyvinyl chloride, polystyrene, low-density polyethylene, and high-density polyethylene. ULTRAMARINE BLUE is found in or released from thirteen recorded sources. Within the category of household items, it is found in key rings, while in household cleaning and consumer products, it appears in tobacco pipes and pipe accessories. It is also utilized in electrical and electronic equipment, specifically in selectors, antennas, gas filled discharge tubes with solid cathode, and electric hearing aids. Additionally, the compound is present in building and construction materials, including roofs, ceilings, fencing, stairs and ramps, sunshades awnings or outside screens, and one other source.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Hexaaluminium(3+) ion octasodium trisulfane-1,3-diide hexasilicic acid	Generator
Hexaaluminium(3+) ion octasodium trisulphane-1,3-diide hexasilicate	Generator
Hexaaluminium(3+) ion octasodium trisulphane-1,3-diide hexasilicic acid	Generator
Ultramarine (pigment)	MeSH

Chemical Formula

Al₆Na₈O₂₄S₃Si₆

Average Molecular Mass

994.470 g/mol

Monoisotopic Mass

993.463 g/mol

CAS Registry Number

57455-37-5

IUPAC Name

hexaaluminium(3+) ion octasodium trisulfane-1,3-diide hexasilicate

Traditional Name

hexaaluminium(3+) ion octasodium trisulfide(2-) hexaorthosilicate

SMILES

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[S-]S[S-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-]

InChI Identifier

InChI=1S/6Al.8Na.6O4Si.H2S3/c;;;;;;;;;;;;;;6*1-5(2,3)4;1-3-2/h;;;;;;;;;;;;;;;;;;;;1-2H/q6*+3;8*+1;6*-4;/p-2

InChI Key

IRERQBUNZFJFGC-UHFFFAOYSA-L

Chemical Taxonomy

Description

Belongs to the class of inorganic compounds known as post-transition metal silicates. These are inorganic compounds in which the largest oxoanion is silicate, and in which the heaviest atom not in an oxoanion is a post-transition metal.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Post-transition metal oxoanionic compounds

Sub Class

Post-transition metal silicates

Direct Parent

Post-transition metal silicates

Alternative Parents

Substituents

Post-transition metal silicate
Silicate
Inorganic sodium salt
Inorganic post-transition metal salt
Inorganic oxide
Inorganic sulfide
Inorganic salt
Inorganic metalloid salt

Molecular Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	-2.6	ChemAxon
pKa (Strongest Acidic)	9.82	ChemAxon
pKa (Strongest Basic)	-4.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	92.24 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	5.77 m³·mol⁻¹	ChemAxon
Polarizability	5.14 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
495	Ceilings	Building & Construction	Not Available
496	Fencing	Building & Construction	Not Available
499	Roofs	Building & Construction	Not Available
500	Stairs And Ramps	Building & Construction	Not Available
502	Sunshades Awnings Or Outside Screens	Building & Construction	Not Available
503	Tents Or Canopies	Building & Construction	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
532	Selectors	Electrical & Electronic Equipment	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
566	Tobacco Pipes	Household cleaning & consumer products	Not Available
573	Key Rings	Household items	Not Available
577	Watch Chains	Household items	Not Available
583	Anchoring Equipment	Marine, shipping & aquaculture	Not Available
584	Buoys	Marine, shipping & aquaculture	Not Available
589	Life Buoys	Marine, shipping & aquaculture	Not Available
620	Card Games	Recreation & sports surfaces	Not Available
624	Merry Go Rounds	Recreation & sports surfaces	Not Available
635	Buttons	Textiles, leather & furnishings	Not Available
640	Embroidering And Tufting	Textiles, leather & furnishings	Not Available
641	Foam Dyeing	Textiles, leather & furnishings	Not Available
645	Inorganic Fibres	Textiles, leather & furnishings	Not Available
647	Multicolour Dyeing	Textiles, leather & furnishings	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available
655	Slide Fasteners	Textiles, leather & furnishings	Not Available
658	Touch Fasteners	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	3-isopropylmalate dehydrogenase	Q5SIY4	Thermus thermophilus	Predicted (SEA)	106.809
Click to view 3D structure	Cyclic nucleotide-gated channel alpha-2	Q00195	Rattus norvegicus	Predicted (SEA)	3317.62
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	7784.53
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	7784.14
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	7784.84
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	7784.61
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	7784.77
Click to view 3D structure	S-methyl-5'-thioadenosine phosphorylase	Q9CQ65	Mus musculus	Predicted (SEA)	4069.49
Click to view 3D structure	Mitochondrial 2-oxodicarboxylate carrier	Q9BQT8	Humans	Predicted (SEA)	22.6541
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	7784.61
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	7784.53
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	7784.38
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	7784.61
Click to view 3D structure	Histone-lysine N-methyltransferase EHMT2	Q96KQ7	Humans	Predicted (SEA)	7783.99
Click to view 3D structure	Toll-like receptor 9	Q9NR96	Humans	Predicted (SEA)	7784.14
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Histone acetyltransferase RTT109	Q07794	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)	Predicted (SEA)	7726.22
Click to view 3D structure	Type-1 angiotensin II receptor	P30556	Humans	Predicted (SEA)	7784.3
Click to view 3D structure	Mitogen-activated protein kinase 14	Q16539	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Nitric oxide synthase 3	P70313	Mus musculus	Predicted (SEA)	7466.29
Click to view 3D structure	Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	Q9BHT9	Plasmodium berghei	Predicted (SEA)	7783.68
Click to view 3D structure	Dual specificity protein phosphatase 5	Q16690	Humans	Predicted (SEA)	5558.2
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	7784.38
Click to view 3D structure	Histone-lysine N-methyltransferase, H3 lysine-79 specific	Q8TEK3	Humans	Predicted (SEA)	7777.68
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	7784.53