Acenaphthylene - CAS 208-96-8

Catalog:	BB016387
Product Name:	Acenaphthylene
CAS:	208-96-8
Synonyms:	acenaphthylene
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.

Technical Data

IUPAC Name:	acenaphthylene
Description:	Polycyclic aromatic hydrocarbons as carcinogenic agents.
Molecular Weight:	152.19
Molecular Formula:	C12H8
Canonical 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.
Storage:	APPROX 4 °C
Decomposition:	Hazardous decomposition products formed under fire conditions - carbon oxides
MDL:	MFCD00003806
LogP:	3.32360
Refractive Index:	1.6360 (estimate)
Stability:	Stable under recommended storage conditions
Vapor Pressure:	0.00668 [mmHg]

GHS Hazard Statement:	H302: Harmful if swallowed [Warning Acute toxicity, oral]
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

Publication Number	Title	Priority Date
CN-113501983-A	Polyimide film with low dielectric and low water absorption and preparation method thereof	20210415
CN-112946241-A	Morphological analysis method of organic pollutants in soil based on graded extraction	20210203
CN-111892737-A	Method for detecting polycyclic aromatic hydrocarbons in sea area sediments	20200529
CN-111892737-B	Method for detecting polycyclic aromatic hydrocarbons in sea area sediments	20200529
CN-111665300-A	Method for simultaneously measuring polycyclic aromatic hydrocarbon and polychlorinated biphenyl in soil	20200521

PMID	Publication Date	Title	Journal
27023119	20160601	Association of polycyclic aromatic hydrocarbons in housewives' hair with hypertension	Chemosphere
25642975	20150216	Oxidation of Acenaphthene and Acenaphthylene by Human Cytochrome P450 Enzymes	Chemical research in toxicology
22585391	20121101	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	20121101	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	20121028	Local aromaticity of the five-membered rings in acenaphthylene derivatives	Physical chemistry chemical physics : PCCP

Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.062600255
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	152.062600255
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7