Chrysene

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 , 1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 32 , 1983,p. 247.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human No Adequate Data IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 32 , 1983,p. 247.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

OSHA PEL: 0.2 mg/m³
ACGIH TLV: Animal Carcinogen
DFG MAK: Animal Carcinogen, Suspected Human Carcinogen
NIOSH REL: (Chrysene) To be controlled as a carcinogen

For occupational chemical analysis use OSHA: #ID-58 or NIOSH: Polynuclear Aromatic Hydrocarbons (HPLC), 5506; (GC), 5515.

Chrysene, with the CAS NO.218-01-9, has the synonyms of 1,2-Benzophenanthrene; 1,2-Benzphenanthrene; Benz(a)phenanthrene; Benzo[a]Phenanthrenee; Rcra waste number U050. Chrysene is a polycyclic aromatic hydrocarbon (PAH) with the molecular formula C₁₈H₁₂ that consists of four fused benzene rings. It is also found in creosote, a chemical used to preserve wood. Chrysene is used in the manufacture of some dyes.

Physical properties about Chrysene are: (1)ACD/LogP: 5.729; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.73; (4)ACD/LogD (pH 7.4): 5.73; (5)ACD/BCF (pH 5.5): 13312.29; (6)ACD/BCF (pH 7.4): 13312.29; (7)ACD/KOC (pH 5.5): 31169.38; (8)ACD/KOC (pH 7.4): 31169.38; (9)Index of Refraction: 1.771; (10)Molar Refractivity: 79.78 cm³; (11)Molar Volume: 191.781 cm³; (12)Polarizability: 31.627 10-24cm³; (13)Surface Tension: 53.5410003662109 dyne/cm; (14)Density: 1.19 g/cm³; (15)Flash Point: 209.141 °C; (16)Enthalpy of Vaporization: 67.926 kJ/mol; (17)Boiling Point: 447.998 °C at 760 mmHg

When you are using Chrysene, please be cautious about it as the following:
1. Avoid exposure - obtain special instruction before use;
2. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
3. This material and/or its container must be disposed of as hazardous waste;
4. Avoid release to the environment. Refer to special instructions safety data sheet;
5. Wear suitable protective clothing and gloves;
6. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H;
(2)InChIKey=WDECIBYCCFPHNR-UHFFFAOYSA-N;
(3)Smilesc12c(c3c(cccc3)cc2)ccc2c1cccc2;

The toxicity data is as follows: