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Dialog "How Do I...?" - Chemistry & Toxicology

Find a CAS® Registry Number and Molecular Formula for a Particular Compound?

TOPIC: Since there are many chemicals with identical names we need a unique identity for a chemical. The American Chemical Society has assigned a unique number called a CAS® Registry Number to every unique chemical. Each number designates only one substance and represents the chemical regardless of which synonym is used (i.e., vitamin A, beta-retinol, vitpex). The CAS® Registry Number has no chemical significance, but it provides a link to a wealth of information about a specific chemical substance.

The most comprehensive and most precise strategy for finding information on a particular substance is to search the CAS® Registry Number of that substance. These identification numbers are searchable in many Dialog files using the RN= prefix (hyphens included). The Merck Index OnlineSM (File 304), Registry of Toxic Effects of Chemical Substances (RTECS®) (File 336) and Chapman & Hall Chemical Database (File 304) are generally good starting points for chemical substance searches.

Note: You can also use the DIALINDEX®/OneSearch® category RNLOOKUP to find a Registry Number.

In this search we'll use The Merck Index Online to locate the CAS Registry Number and molecular formula for the compound ethylene glycol.

COMMAND SUMMARY

BEGIN 304
EXPAND NA=ETHYLENE GLYCOL

SELECT E3
TYPE S1/9/1


HOW TO...


1. BEGIN in File 304, Merck Index Online.

2. EXPAND using NA= to find the chemical name.

 

 

 

 

 

 

 

 

 

 

3. SELECT the appropriate chemical name using the E number (E3).


?b 304
File 304:The Merck Index Online 2012S1
       A subsid. of Merck&Co,Inc.,USA
      Set  Items  Description
      ---  -----  -----------
?e na=ethylene glycol
Ref   Items  Index-term
Ref   Items  Index-term
E1        1  NA=ETHYLENE DILAURATE
E2        1  NA=ETHYLENE EPISULFIDE
E3        1 *NA=ETHYLENE GLYCOL
E4        1  NA=ETHYLENE GLYCOL BIS(BETA-AMINOETHYLETHER)-N,N,
E5        1  NA=ETHYLENE GLYCOL DIACETATE
E6        1  NA=ETHYLENE GLYCOL DIMETHYL ETHER
E7        1  NA=ETHYLENE GLYCOL DINITRATE
E8        1  NA=ETHYLENE GLYCOL MONO-2-NAPHTHYL ETHER
E9        1  NA=ETHYLENE GLYCOL MONOACETATE
E10       1  NA=ETHYLENE GLYCOL MONOBUTYL ETHER
E11       1  NA=ETHYLENE GLYCOL MONOETHYL ETHER
E12       1  NA=ETHYLENE GLYCOL MONOETHYL ETHER ACETATE

Enter P or PAGE for more

?s e3
      S1       1  NA='ETHYLENE GLYCOL'

4. TYPE out the record using FULL or Format 9 to see the complete record.

Note the CAS Registry Number (RN=) and Molecular Formula (MF=) at the top of the record.

 


?t s1/9/1

1/9/1
DIALOG(R)File 304: The Merck Index Online
A subsid. of Merck&Co,Inc.,USA. All rights reserved.
03798 Monograph Name: Ethylene Glycol
CAS REGISTRY NUMBER: 107-21-1
MOLECULAR FORMULA: C2H6O2 MOLECULAR WEIGHT: 62.07

MOLECULAR COMPOSITION: C 38.70%, H 9.74%, O 51.55%
C.A. CHEMICAL NAME(s): 1,2-Ethanediol
SYNONYMS:
 1,2-dihydroxyethane ; 2-hydroxyethanol
LITERATURE REFERENCES:
 Prepd on a large scale by the hydration of ethylene oxide. Flowsheets: Ullmanns Encyklopadie der techanischen Chemie vol. 3 (3rd ed., 1953) p 137; M. Sittig, Organic Chemical Process Encyclopedia (Noyes Dev. Corp., Park Ridge, N.J., 1967) p 265. Manuf from ethylene and oxygen: Faith, Keyes & Clark's Industrial Chemicals, F. A. Lowenheim, M. K. Moran, Eds. (Wiley-Interscience, New York, 4th ed., 1975) pp 397-402. Toxicity studies: Smyth et al., J. Ind. Hyg. Toxicol. 23, 259 ( 1941 ); Bornmann, Arzneim.-Forsch. 4, 643 ( 1954 ). Monograph: G. O. Curme, F. Johnston, ....
PHYSICAL DATA:
 Slightly viscous liq. Sweet taste. Poisonous. Do not swallow. Considerably
hygroscopic: Absorbs twice its weight of water at 100% relative humidity. d40: 1.1274. d410: 1.1204. d420: 1.1135. d430: 1.1065. One gallon weighs 9.3 lbs. Flash pt, open cup: f 240 ( c 115 ). mp -13. bp760 197.6; bp97 140; bp18 100; bp3.0 70; bp0.06 20. nD15 1.43312; nD25 1.43063. Log P ( octanol/water ): -1.36. Viscosity (cP): 26 (15(deg)); 21 (20(deg)); 17.3 (25(deg)). Dielectric constant at 20(deg) and 150 meters wavelength: 38.66 esu. Dipole moment 2.20. Spec heat (20(deg)): 0.561 cal/g/(deg)C. Heat of
 ....
PHYSICAL DATA:
 BOILING POINT: bp760 197.6; bp97 140; bp18 100; bp3.0 70; bp0.06 20
 MELTING POINT: -13
 FLASH POINT: Flash pt, open cup: f 240 ( c 115 )
 REFRACTIVE INDEX: nD15 1.43312; nD25 1.43063
 DENSITY: d40: 1.1274; d410: 1.1204; d420: 1.1135; d430: 1.1065; d2020: 1.013, fp -3.5(deg); 20.44% ethylene glycol d2020: 1.027, fp -8(deg); 29.88% ethylene glycol d2020: 1.040, fp -15(deg); 40.23% ethylene glycol d2020: 1.054, fp -24(deg); 50.18% ethylene glycol d2020: 1.067, fp -36(deg); 58.37% ethylene glycol d2020: 1.0770, fp -48(deg)
 ....
NOTES:
Caution: Potential symptoms of overexposure by ingestion are nausea, vomiting, abdominal pain, weakness; dizziness, stupor, convulsions, CNS depression. Direct contact may cause irritation of eyes, nose, skin; skin sensitization. See NIOSH Pocket Guide to Chemical Hazards (DHHS/NIOSH 97-140, 1997) p 136. See also Patty's Industrial Hygiene and Toxicology vol. 2F, G. D. Clayton, F. E. Clayton, Eds. (Wiley-Interscience, New York, 4th ed., 1994) pp 4645-4657.
USE: Antifreeze in cooling and heating systems. In hydraulic brake fluids and de-icing solutions. Industrial humectant. Ingredient of electrolytic condensers where it serves as solvent for boric acid and borates. Solvent in the paint and plastics industries. In the formulation of printers' inks, stamp pad inks, ball-point pen ink. Softening agent for cellophane.
....
REFERENCE KEYS PRESENT: Manuf; Prepd; Review; Toxicity; Toxicology
DATA KEYS PRESENT: Melting point; Boiling point; Density; Refractive Index; Lethal Dose; Flash point; Note; Caution; Molecular Weight; Uses


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Stock #: 54502; Last modified: 29 Sep 2012



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