HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Ovalene

HCID 67446
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
190-26-1
Standard SMILES
c1cc2ccc3cc4ccc5ccc6ccc7cc8ccc1c1c2c3c2c4c5c6c7c2c81
InChIKey
LSQODMMMSXHVCN-UHFFFAOYSA-N
Molecular formula
C32H14
Average molar mass
398.5 g/mol
Monoisotopic mass
398.10955045

Overview

Ovalene is an ortho- and peri-fused polycyclic arene.

Names & identifiers

Preferred name
Ovalene
IUPAC
ovalene
English name
Ovalene
Molecular formula
C32H14
Molecular weight
398.45

Names & synonyms

Ovalene190-26-1UNII-3M1901484GEINECS 205-880-1NSC 91578NSC-915783M1901484GCHEBI:33091DTXSID901724471,14:3,4:7,8:10,11-Tetraethenodibenzo[fg,op]naphthacene1,14:3,4:7,8:10,11-Tetraethenodibenzo(fg,op)naphthaceneRefChem:168734
Show more names
DTXCID6094938205-880-1LSQODMMMSXHVCN-UHFFFAOYSA-NSCHEMBL27402SCHEMBL22344177SCHEMBL29354165NSC91578phenanthro[3,4,5,6-qrabc]coronene

Database identifiers

CAS
190-26-1
PubChem CID
67446
DTXSID
DTXSID90172447
ChEBI
CHEBI:33091
UNII
3M1901484G
EC Number
205-880-1
Nikkaji
J145.956B

Properties

Computed structural properties

XLogP
10
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
32
Formal charge
0
Complexity
696

Experimental & physicochemical properties

SpringerMaterials PropertiesAngular frequency

Physicochemical properties

Melting point
475 · 475-476 °C
Boiling point
456.64 °C · 456.64°C (rough estimate)
Density
0.853 · 0.8530 (rough estimate)
refractive index
1.469 · 1.4690 (estimate)
FDA UNII
3 M1901484G · 3M1901484G

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Toxicology

TreatmentThere is no know antidote for PAHs. Exposure is usually handled with symptomatic treatment. (L10)
Health EffectsPAHs are carcinogens and have been associated with the increased risk of skin, respiratory tract, bladder, stomach, and kidney cancers. They may also cause reproductive effects and depress the immune system. (L10)
Exposure RoutesOral (L10) ; inhalation (L10)
Toxicity Summary · 1 item

The ability of PAH's to bind to blood proteins such as albumin allows them to be transported throughout the body. Many PAH's induce the expression of cytochrome P450 enzymes, especially CYP1A1, CYP1A2, and CYP1B1, by binding to the aryl hydrocarbon receptor or glycine N-methyltransferase protein. These enzymes metabolize PAH's into their toxic intermediates. The reactive metabolites of PAHs (epoxide intermediates, dihydrodiols, phenols, quinones, and their various combinations) covalently bind to DNA and other cellular macromolecules, initiating mutagenesis and carcinogenesis. (L10, L23, A27, A32)

Signs and SymptomsAcute exposure to PAHs causes irritation and inflammation of the skin and lung tissue. (A10)
Carcinogen ClassificationNot listed by IARC. IARC has evaluated other PAHs (L2154).

Chemistry & industry

Pharmacology

Metabolism/Metabolites · 1 item

PAH metabolism occurs in all tissues, usually by cytochrome P-450 and its associated enzymes. PAHs are metabolized into reactive intermediates, which include epoxide intermediates, dihydrodiols, phenols, quinones, and their various combinations. The phenols, quinones, and dihydrodiols can all be conjugated to glucuronides and sulfate esters; the quinones also form glutathione conjugates. (L10)

Uses & manufacturing

Uses · 1 item

PAHs are released into the environment via the combustion of fossil fuels, coke oven emissions and vehicle exhausts, as well as naturally from forest fires and vocanic eruptions. PAHs from these sources may contaminate nearly water systems. They are also found in coal tar and charbroiled food. (L10)

Applications

UsesOvalene can be used in technical or engineered material use in polymeric nanotube dispersants and dispersant-free nanotube films therefrom.

Upstream & downstream products

Downstream products

2,3,6,7-Tetrachloronaphthalene1,4,6-Trichloronaphthalene1,2,3,6,8-Pentachloronaphthalene

Suppliers8 total

江苏智芯廷科技有限公司18221391031 · [email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
安耐吉化学&3A(安徽泽升科技有限公司)
021-58432009 400-005-6266 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]

Additional notes

DefinitionChEBI: Ovalene is an ortho- and peri-fused polycyclic arene.