Mica (CED0001540)

Record Information

Version

1.0

Creation Date

2016-05-19 03:06:52 UTC

Update Date

2026-05-14 19:28:10 UTC

Accession Number

CHEM009534

Identification

Common Name

Mica

Class

Small Molecule

Description

Mica belongs to the phthalocyanines, a subclass of tetrapyrroles and derivatives within the organic compounds. With an average molecular weight of 514.55 g/mol, Mica is a heavy molecule. This organoheterocyclic compound with the formula C32H18N8 serves various industrial roles, including use as a dye, opacifer, filler, anti-caking agent, pigment, surface modifier, and processing aids not otherwise specified. It is also utilized industrially as a fragrance and as a degradant or impurity, while acting as a biological antioxidant (PMC13163680). Mica is found in or released from nine recorded sources. These include electrical and electronic equipment, specifically antennas, gas filled discharge tubes with solid cathode, sparking plugs, and superconductive or hyperconductive conductors cables or transmission lines. It is also associated with building and construction materials such as ladders, tents, or canopies, as well as household cleaning and consumer products including pipe accessories and tobacco pipes. Additionally, it is found in drinking water and water supply. The recorded exposure route for this compound is oral. Regarding health effects, Mica has been detected in the blood of individuals with thrombosis (PMC10531672).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
29H,31H-Phthalocyanine	ChEBI
Ftalocianina	ChEBI
Phthalocyanin	ChEBI
Phthalozyanin	ChEBI
Pigment blue 16	ChEBI
Dehydrophthalocyanine	MeSH
Phthalocyanine	MeSH
Trinuclear phthalocyanine H2PC-H2PC-H2PC	MeSH
Dinuclear phthalocyanine H2PC-H2PC	MeSH

Chemical Formula

C₃₂H₁₈N₈

Average Molecular Mass

514.552 g/mol

Monoisotopic Mass

514.165 g/mol

CAS Registry Number

12001-26-2

IUPAC Name

2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.1³,¹⁰.1¹²,¹⁹.1²¹,²⁸.0⁴,⁹.0¹³,¹⁸.0²²,²⁷.0³¹,³⁶]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene

Traditional Name

29H, 31H-phthalocyanine

SMILES

N1C2=C3C=CC=CC3=C1\N=C1/N=C(/N=C3\N=C(NC4=N\C(=N/2)C2=CC=CC=C42)C2=CC=CC=C32)C2=CC=CC=C12

InChI Identifier

InChI=1S/C32H18N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16H,(H2,33,34,35,36,37,38,39,40)

InChI Key

IEQIEDJGQAUEQZ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phthalocyanines. These are cyclic tetrapyrroles that contain a phthalocyanine skeleton, which consists of four isoindole-type units, with the connecting carbon atoms in the macrocycle replaced by nitrogen.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Tetrapyrroles and derivatives

Sub Class

Phthalocyanines

Direct Parent

Phthalocyanines

Alternative Parents

Substituents

Phthalocyanine skeleton
Isoindole or derivatives
Isoindole
Benzenoid
Heteroaromatic compound
Pyrrole
Azacycle
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

tetrapyrrole fundamental parent (CHEBI:34921 )
phthalocyanines (CHEBI:34921 )

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

antioxidant

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
Water Solubility	0.01 g/L	ALOGPS
logP	4.79	ALOGPS
logP	6.49	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Acidic)	5.52	ChemAxon
pKa (Strongest Basic)	2.52	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	108.92 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	155.73 m³·mol⁻¹	ChemAxon
Polarizability	57.9 Å³	ChemAxon
Number of Rings	9	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0000090000-02d21a099a0ea3d4f4a6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0000090000-02d21a099a0ea3d4f4a6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-3000690000-637245b80cb398127d1c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0000090000-2cf51affcb6c012b4fa3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0000090000-2cf51affcb6c012b4fa3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0000590000-891ebd5827b241175497	Not Available	View Spectrum

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

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2594.0	Log mg/kg	[1500:4600]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference
thrombosis	detected_in_blood_in	Not Available	PMC10531672

Exposure Sources

Source ID	Source	Sector	Reference
115	Drinking water	Drinking water & water supply	Not Available
490		Personal care & cosmetics	Not Available
498	Ladders	Building & Construction	Not Available
503	Tents Or Canopies	Building & Construction	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
533	Sparking Plugs	Electrical & Electronic Equipment	Not Available
536	Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines	Electrical & Electronic Equipment	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
566	Tobacco Pipes	Household cleaning & consumer products	Not Available
584	Buoys	Marine, shipping & aquaculture	Not Available
620	Card Games	Recreation & sports surfaces	Not Available
634	Buckles	Textiles, leather & furnishings	Not Available
645	Inorganic Fibres	Textiles, leather & furnishings	Not Available
655	Slide 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	Peptidoglycan-N-acetylglucosamine deacetylase BC_1974	Q81EJ6	Bacillus cereus (strain ATCC 14579 / DSM 31 / JCM 2152 / NBRC 15305 /NCIMB 9373 / NRRL B-3711)	Predicted (SEA)	30.1276
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	717.069
Click to view 3D structure	Indoleamine 2,3-dioxygenase 1	P14902	Humans	Predicted (SEA)	148.225
Click to view 3D structure	Poly [ADP-ribose] polymerase tankyrase-2	Q9H2K2	Humans	Predicted (SEA)	180.065
Click to view 3D structure	Poly [ADP-ribose] polymerase tankyrase-1	O95271	Humans	Predicted (SEA)	211.672
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	4589.6
Click to view 3D structure	cGMP-specific 3',5'-cyclic phosphodiesterase	O76074	Humans	Predicted (SEA)	568.144
Click to view 3D structure	Adenosine receptor A2a	P29274	Humans	Predicted (SEA)	1086.31
Click to view 3D structure	Poly [ADP-ribose] polymerase 1	P09874	Humans	Predicted (SEA)	637.429
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	3932.94
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	3754.51
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	1396.23
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	4003.79
Click to view 3D structure	Casein kinase I isoform delta	P48730	Humans	Predicted (SEA)	3400.14
Click to view 3D structure	Plasminogen	P00747	Humans	Predicted (SEA)	1101.72
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	841.706
Click to view 3D structure	Alkaline phosphatase, tissue-nonspecific isozyme	P05186	Humans	Predicted (SEA)	161.771
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	2401.18
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 4	O95819	Humans	Predicted (SEA)	3987.98
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	3940.42
Click to view 3D structure	Cyclin-dependent kinase 1	P06493	Humans	Predicted (SEA)	3864.05
Click to view 3D structure	MAP kinase-interacting serine/threonine-protein kinase 2	Q9HBH9	Humans	Predicted (SEA)	3538.87
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	5092.35
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	4834.05
Click to view 3D structure	Cytochrome P450 1A1	P04798	Humans	Predicted (SEA)	338.644