Acenaphthylene
Product Information
Molecular Formula
C12H8
Molecular Weight
152.19
Description
Polycyclic aromatic hydrocarbons as carcinogenic agents.
Synonyms
acenaphthylene
IUPAC Name
acenaphthylene
SMILES
C1=CC2=C3C(=C1)C=CC3=CC=C2
InChI
InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
InChI Key
HXGDTGSAIMULJN-UHFFFAOYSA-N
Boiling Point
280 °C (lit.)
Melting Point
78-82 °C (lit.)
Flash Point
122°C
Purity
95 %
Density
0.899 g/cm3
Solubility
Insoluble
Appearance
Colorless crystalline solid. insoluble in water. used in dye synthesis, insecticides, fungicides, and in the manufacture of plastics.
Application
Used in insecticides and fungicides and in the manufacture of dyes and plastics; Present in crude oil and coal tar; Produced during combustion (including natural fires), petroleum refining, and coal tar distillation; Has been detected in the atmosphere of a lumber creosote impregnation plant, at the coal preparation area of a solvent refined coal pilot plant, in an aluminum plant, and in smokehouses; Used as an intermediate for resins.
Storage
APPROX 4 °C
Refractive Index
1.6360 (estimate)
Stability
Stable under recommended storage conditions
LogP
3.32360
Vapor Pressure
0.00668 [mmHg]
Henry's Law Constant
1.25X10-4 atm-cu m/mol at 25 °C
Decomposition
Hazardous decomposition products formed under fire conditions - carbon oxides
Safety Information
Hazards
H302:
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H372:
Causes damage to organs through prolonged or repeated exposure.
H373:
May cause damage to organs through prolonged or repeated exposure.
H413:
May cause long-lasting harmful effects to aquatic life.
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H372:
Causes damage to organs through prolonged or repeated exposure.
H373:
May cause damage to organs through prolonged or repeated exposure.
H413:
May cause long-lasting harmful effects to aquatic life.
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
3.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
152.062600255 g/mol
Monoisotopic Mass
152.062600255 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
184
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| JP-2022009369-A | Deodorant for daily life odor | 2021-10-21 |
| JP-2022009139-A | Radiation-sensitive resin composition | 2021-10-14 |
| CN-113817638-A | Complex microbial inoculant for degrading petroleum pollutants and ecological construction method thereof | 2021-09-23 |
| CN-113707852-A | Preparation method of polyimide modified ternary cathode material and product thereof | 2021-06-29 |
| CN-113604043-A | Polyimide film with low moisture absorption and high adhesion and preparation method thereof | 2021-05-11 |
| CN-113501983-A | Polyimide film with low dielectric and low water absorption and preparation method thereof | 2021-04-15 |
| CN-112946241-A | Morphological analysis method of organic pollutants in soil based on graded extraction | 2021-02-03 |
| CN-112735539-A | Source analysis method of polluted site characteristic pollutants based on composite receptor model | 2021-01-18 |
| US-2022073829-A1 | Two-stage syngas production with separate char and product gas inputs into the second stage | 2020-09-04 |
| WO-2022051573-A1 | Two-stage syngas production with separate char and product gas inputs into the second stage | 2020-09-04 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 27023119 | 2016-06-01 | Association of polycyclic aromatic hydrocarbons in housewives' hair with hypertension | Chemosphere |
| 25642975 | 2015-02-16 | Oxidation of Acenaphthene and Acenaphthylene by Human Cytochrome P450 Enzymes | Chemical research in toxicology |
| 22585391 | 2012-11-01 | Characterization, sources, and potential risk assessment of PAHs in surface sediments from nearshore and farther shore zones of the Yangtze estuary, China | Environmental science and pollution research international |
| 22902828 | 2012-11-01 | Human exposure to polycyclic aromatic hydrocarbons (PAHs) using data from a duplicate diet study in Catalonia, Spain | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
| 22990523 | 2012-10-28 | Local aromaticity of the five-membered rings in acenaphthylene derivatives | Physical chemistry chemical physics : PCCP |
| 22869394 | 2012-10-01 | Application of solid-phase microextraction method to determine bioavailable fraction of PAH in hazardous waste | Bulletin of environmental contamination and toxicology |
| 23043842 | 2012-10-01 | Antimicrobial activity of salmon extracts derived from traditional First Nations smoke processing | Journal of food protection |
| 22904945 | 2012-08-01 | Ethyl 7'-(6-benz-yloxy-2,2-dimethyl-tetra-hydro-furo[3,2-d][1,3]dioxol-5-yl)-2-oxo-5',6',7',7a'-tetra-hydro-1'H,2H-spiro-[acenaphthyl-ene-1,5'-pyrrolo-[1,2-c][1,3]thia-zole]-6'-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
| 22695693 | 2012-07-20 | Ultrahigh performance liquid chromatographic analysis and magnetic preconcentration of polycyclic aromatic hydrocarbons by Fe₃O₄-doped polymeric nanoparticles | Journal of chromatography. A |
| 22713917 | 2012-07-20 | The application of an in vitro gastrointestinal extraction to assess the oral bioaccessibility of polycyclic aromatic hydrocarbons in soils from a former industrial site | Analytica chimica acta |
