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Search for Toxic Effects of Chemical Substances?
TOPIC: Summary information is frequently needed to determine the toxic effects of chemical substances. Registry of Toxic Effects of Chemical Substances (RTECS®) (File 336) is a major database that summarizes compiled toxicological information. It provides basic toxicity information for frequently used household and industrial chemical substances, such as drugs, food additives, pesticides, solvents, chemical wastes and more.
The RTECS data consists of the lowest dose reported to have caused the listed toxic effect in the designated species by the designated route of administration. The database is oriented toward the United States and was once known as the Toxic Substances List. Here, as in The Merck Index Online (File 304), which is a detailed source of monographs for many commonly used chemicals, a simple EXPAND on the Chemical Name (NA=) field will find the unique compound record. The RTECS data is recorded in the format developed by the RTECS staff and arranged in alphabetical order by prime chemical name.
Six types of toxicity data are included in the file: (1) primary irritation; (2) mutagenic effects; (3) reproductive effects; (4) tumorigenic effects; (5) toxicity; and (6) other multiple dose toxicity. Specific numeric toxicity values such as LD50, LC50, TDLo, and TCLo are noted, as well as species studied and route of administration used. For each citation, the bibliographic source is listed thereby enabling the user to access the actual studies cited. Journals are identified by their CODEN which are unique, six-character codes that identify serial and nonserial publications produced worldwide. No attempt has been made to evaluate the studies cited in RTECS. The user has the responsibility of making such assessments.
Searches of the primary literature must also be done to determine updated values. See “How Do I Use the MAP Command to Begin a Basic Toxicology Search?”
In this search we will search for the chemical Cumene in two files. The first search in RTECS illustrates the comprehensive toxicity data you can retrieve. In the second search, you see that The Merck Index Online also has toxicity references, as well as other information about the chemical.
COMMAND SUMMARY
BEGIN 336
EXPAND NA=CUMENE
SELECT “E” REFERENCE NUMBER
TYPE S1/2/1
BEGIN 304
EXPAND NA=CUMENE
SELECT “E” REFERENCE NUMBER
TYPE S1/9/1
HOW TO...
1. BEGIN File 336 to search RTECS.
2. EXPAND the substance name on the Chemical Name (NA=) field.
3. SELECT the appropriate “E” Reference number.
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?B 336
File 336:RTECS 2007/Q3
Portions (c) Copyright 2007, U.S. Government.
Set Items Description
--- ----- -----------
?E NA=CUMENE
Ref Items Index-term
E1 1 NA=CUMEENHYDROPEROXYDE
E2 1 NA=CUMELON
E3 1 *NA=CUMENE
E4 1 NA=CUMENE ALDEHYDE
E5 1 NA=CUMENE HYDROPEROXIDE
E6 1 NA=CUMENE HYDROPEROXIDE MIXED WITH BETA-
NAPHTHYLA
E7 1 NA=CUMENE PEROXIDE
E8 1 NA=CUMENE, ALPHA,BETA-EPOXY-
E9 1 NA=CUMENE, P-METHYL-
E10 1 NA=CUMENYL HYDROPEROXIDE
E11 1 NA=CUMERTILIN SODIUM
E12 1 NA=CUMIC ACID
Enter P or PAGE for more
?S E3
S1 1 NA='CUMENE' |
4. TYPE the record in Format 2 to see the toxicity data.
Note: Although part of this record is omitted from the display, the complete record contains the types of data highlighted here.
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?T S1/2
1/2/1
DIALOG(R)File 336: RTECS
Portions (c) Copyright 2007, U.S. Government. Rights Res. All rights reserved.
"RTECS(R)" is a United States trademark owned and licensed under authority of the U.S. Government, by and through MDL Information Systems, Inc.
2476514 RTECS Number: GR8575000
Substance Name: Cumene
CAS Registry Number: 98-82-8 Molecular Formula: C9H12 Molecular Weight: 0120.21
Synonyms: Cumeen (Dutch) ; Benzene, isopropyl ; Benzene, (1-methylethyl)- (9CI) ; 2-Fenilpropano (Italian) ; 2-Fenyl-propaan (Dutch) ; Isopropylbenzeen (Dutch) ; Isopropilbenzene (Italian) ; Isopropyl benzene ; Isopropylbenzol ; Isopropyl-benzol (German) ; (1-Methylethyl)benzene ; 2-Phenylpropane ; RCRA waste number U055 ; Cumene (ACGIH:OSHA) ; Cumol ; Propane, 2-phenyl
. . . .
TOXICITY EFFECTS DATA:
EF RT SP TY DO CD VO,PG,PY
F07;F25;F33 ihl hmn TCLo 200 ppm TGNCDL 2,39,1961
K05; ; orl rat LD50 1400 mg/kg AMIHAB 14,387,1956
* ihl rat LCLo 8000 ppm/4H AMIHBC 4,119,1951
* orl mus LD50 12750 mg/kg GISAAA 36(9),18,1971
L50;M04;P27 ihl mus LC50 10 gm/m3/7H JIHTAB 26,264,1944
* skn rbt LD50 12300 uL/kg AMIHBC 4,119,1951
* ihl mus LC50 15300 mg/m3/2H VCVGH* -,169,1990
* ihl mus LC50 10000 mg/m3/7H VCVGH*
. . . .
OTHER MULTIPLE DOSE EFFECTS DATA:
EF RT SP TY DO CD VO,PG,PY
D35;F17;P08 ihl rat TCLo 1200 ppm/6H/13W-I NTIS** OTS0522342
M71 orl rbt TDLo 89628 mg/kg/194D-I VCVGH* -,169,1990
J15;P01;P72 ihl rbt TCLo 10000 mg/m3/2H/24W-I VCVGH* -,170,1990
. . . .
Data Present: Irritation Effects; Mutation Effects; Toxicity Effects; Human Toxicity Effects; Other Multiple Dose Effects; Reviews; Standards and Regulations; NIOSH Criteria Documents; NTP, NIOSH, EPA Status
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5. BEGIN File 304 to search The Merck Index Online.
6. EXPAND the chemical on the Chemical Name (NA=) field.
7. SELECT the appropriate “E” Reference number. |
?B 304
File 304:The Merck Index Online(SM) 2005/S2
(c) 2005 Merck & Co. Inc.
Set Items Description
--- ----- -----------
?E NA=CUMENE
Ref Items Index-term
E1 1 NA=CUMAROTE C
E2 1 NA=CUMELON
E3 1 *NA=CUMENE
E4 1 NA=CUMERTILIN SODIUM
E5 1 NA=CUMETHAROL
E6 1 NA=CUMETHOXAETHANE
E7 1 NA=CUMIC ACID
E8 1 NA=CUMIC ALCOHOL
E9 1 NA=CUMIDINE
E10 1 NA=CUMIDINE HYDROCHLORIDE
E11 1 NA=CUMIDINE SULFATE
E12 1 NA=CUMINAL
Enter P or PAGE for more
?S E3
S1 1 NA='CUMENE' |
8. TYPE the record in Format 9 to see the full record.
Note this record contains information on a toxicity study, as well as physical data on the chemical. |
?T S1/9
1/9/1
DIALOG(R)File 304: The Merck Index Online(SM)
(c)
2005 Merck & Co. Inc. All rights reserved.
02644 Monograph Name: Cumene
CAS REGISTRY NUMBER: 98-82-8
MOLECULAR FORMULA: C9H12 MOLECULAR WEIGHT: 120.19
MOLECULAR COMPOSITION: C 89.94%, H 10.06%
C.A. CHEMICAL NAME(s): (1-Methylethyl)benzene
SYNONYMS: cumol; isopropylbenzene
LITERATURE REFERENCES:
Manuf: Faith, Keyes & Clark's Industrial Chemicals, F. A. Lowenheim, M. K. Moran, Eds. (Wiley-Interscience, New York, 4th ed., 1975) pp 294-297. Toxicity study: Smyth et al., Arch. Ind. Hyg. Occup. Med. 4, 119 (1951). Review: D. J. Ward in Kirk-Othmer Encyclopedia of Chemical Technology vol. 7 (Wiley-Interscience, New York, 3rd ed., 1979) pp 286-290.
PHYSICAL DATA:
Colorless liquid. d420: 0.862. bp 152-153. Flash pt, closed cup: f 102 ( c 39 ). nD20 1.4914: Hirschler, Faulconer, J. Am. Chem. Soc. 68, 210 (1946). Insol in water. Sol in alcohol and many other organic solvents. LD50 orally in rats: 2.91 g/kg (Smyth).
PHYSICAL DATA:
BOILING POINT: bp 152-153
FLASH POINT: Flash pt, closed cup: f 102 ( c 39 )
REFRACTIVE INDEX: nD20 1.4914: Hirschler, Faulconer, J. Am. Chem. Soc. 68, 210 (1946)
DENSITY: d420: 0.862
LD50: LD50 orally in rats: 2.91 g/kg (Smyth)
NOTES:
Caution: Potential symptoms of overexposure are irritation of eyes, skin and mucous membranes; dermatitis; headache, narcosis, coma. See NIOSH
Pocket Guide to Chemical Hazards (DHHS/NIOSH 97-140, 1997) p 80.
USE: In manuf of phenol, acetone, acetophenone, alpha-methylstyrene.
REFERENCE KEYS PRESENT: Manuf; Review; Toxicity
DATA KEYS PRESENT: Boiling point; Density; Refractive Index; Lethal Dose; Flash point; Note; Caution; Molecular Weight; Uses |
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