Caffeine+analysis+in+K-cups

=__**This is the link to the prezi I started.**__ I only spent about 90 minutes working on it, but it is a start. Let me know what you like/dislike and i will change it. The way i think it is going to turn is is that we have a section for caffeine information, a section for the analytical procedure, a section for our testing and a section for our results. So far I have the information part done and im starting on the procedure part. For the kick off party we only need the first 2 sections done so we are half way there. ** (woooooooooooooooooooooahhh living on a prayer) ** =

=**You guys should go to the prezi site and sign up. Once you do I can make you a co-editor and we can all work on it.**=

__//EVERYONE should be ready to go on the 16th.//__
Questions to answer:
 * 1) What is the chemical formula, chemical structure, molar mass and the CAS Registry number of the analyte you will be working with?
 * 2) Find and print out a free MSDS for the chemical you are studying.
 * 3) What are the health benefits of consuming the chemical you are working with?
 * 4) What are the health risks of consuming too much of the chemical you are working with?
 * 5) What is the normal or acceptable amount of your group's analyte, in the substance you will be analyzing?
 * 6) Investigate the instrumentation or techniques required to carry out the analysis you will do.
 * 7) How does the instrumentation or technique work to measure the substance you are looking for?
 * 8) What other chemicals are required to do the analysis?
 * 9) Look up and print out the MSDS for each chemical required to do the analysis.
 * 10) Outline the steps required to carry out the analysis.

Who has what questions:

Ben- #1, #2, #3 Craig- #4, #5 Eric- #6, #7, #8 Mobene- #9, #10

Doctor McGee on Caffeine: []

1) Formula: C8H10N4O2 Molar Mass: 194.19 CAS Registry Number: 58-08-2

Chemical Structure:

2) Caffeine MSDS

3) Benefits:
 * Increases bodily endurance
 * Rapidly recovers lost energy
 * Incrrases the speed of your metabolism
 * Breaks down and converts fat into fatty acids which are burned for energy

4) Health risks-Possible Cardiovascular Issues, increased anxiety, insomnia, and stomach/digestive pains are just a few of the many issues related to frequent caffeine intake.

5) It is generally agreed throughout the online community that consuming up to 300 mg of caffeine per day is safe. That would be about the amount of caffeine you would get from around three cups of coffee. Some websites even claim that it can be safe to consume a whopping 400mg of caffeine per day. 4 cups of coffee in a day...not a good idea, especially if you take into account my earlier statistics regarding caffeine intake.

__**My questions:**__

6) Investigate the instrumentation or techniques required to carry out the analysis you will do.  7) How does the instrumentation or technique work to measure the substance you are looking for? <span style="font-family: Arial,sans-serif; font-size: 10pt; line-height: 115%;">8) What other chemicals are required to do the analysis?

__**<span style="color: black; font-family: 'Times New Roman',serif; font-size: 12pt; line-height: 115%;">My Answers: (not 100% done yet so some of it may be wrong) **__

<span style="color: black; font-family: 'Times New Roman',serif; font-size: 12pt; line-height: 115%;">6) There are two different techniques that can be utilized in order to determine the amount of caffeine in beverages, <span style="font-family: 'Times New Roman',serif; font-size: 16px; line-height: 18px;">Gas Chromatography and High Performance Liquid Chromatography. We will be using the latter:

<span style="color: black; font-family: 'Times New Roman',serif; font-size: 12pt; line-height: 115%;">__High Performance Liquid Chromatography (HPLC)__ - The beverage samples will be put though a 0.45µm syringe filter with a 5ml syringe then disposed of the first 1ml and finally put the rest of the sample into the sample vial. The sample liquids are then injected into the HPLC machine.

<span style="color: black; font-family: 'Times New Roman',serif; font-size: 12pt; line-height: 115%; margin-left: 0.25in; text-indent: -0.25in;">7) How the instrumentation works:

media type="youtube" key="kz_egMtdnL4" height="390" width="480" align="center"

__<span style="color: black; font-family: 'Times New Roman',serif; font-size: 12pt; line-height: 115%;">High Performance Liquid Chromatograph (HPLC) – __

<span style="color: black; font-family: 'Times New Roman',serif; font-size: 11pt; line-height: 115%; margin-left: 0.25in; text-indent: -0.25in;">In reverse phase HPLC the mobile phase is polar and the stationary phase in non-polar. When a sample is injected into the instrument, the mobile phase moves it through the column. Molecules in the sample that are polar interact more strongly with the mobile phase and elute from the column first. Non-polar molecules interact more strongly with the stationary phase and elute from the column last. As molecules elute from the column, they are detected, and a peak is recorded in chromatogram. The identity of a peak can be found by comparing its retention time (the time that it eluted from the column) to the retention time of known compounds. Identical substances will have identical retention times. The area of the peak is also important as peak area is proportional to the concentration of that particular species in the sample.

<span style="color: black; font-family: 'Times New Roman',serif; line-height: 115%; margin-left: 0.25in; text-indent: -0.25in;">8) Chemicals needed:
==== __<span style="color: black; font-family: 'Times New Roman',serif; line-height: 115%;">High Performance Liquid Chromatograph (HPLC) __<span style="color: black; font-family: 'Times New Roman',serif; line-height: 115%;"> – Caffeine stock solution at 1000 ppm ====

<span style="color: black; font-family: 'Times New Roman',serif; line-height: 115%; margin-left: 3.25in; text-indent: 0.25in;">HLPC grade methanol
9) MSDS of Caffeine.

1. Product Identification
> **Synonyms:** 1,3,7-trimethylxanthine > **CAS No.:** 58-08-2 > **Molecular Weight:** 194.19 > **Chemical Formula:** C8H10N4O2 > **Product Codes:** E268

2. Composition/Information on Ingredients
code Ingredient CAS No Percent Hazardous ---  -

Caffeine 58-08-2 100% Yes

code

3. Hazards Identification
> **Emergency Overview** > -- > **WARNING! HARMFUL IF SWALLOWED OR INHALED. CAUSES IRRITATION TO SKIN, EYES AND RESPIRATORY TRACT. POSSIBLE BIRTH DEFECT HAZARD. MAY CAUSE BIRTH DEFECTS BASED ON ANIMAL DATA.** > > **SAF-T-DATA(tm)** Ratings (Provided here for your convenience) > --- > Health Rating: 2 - Moderate (Poison) > Flammability Rating: 1 - Slight > Reactivity Rating: 1 - Slight > Contact Rating: 2 - Moderate > Lab Protective Equip: GOGGLES; LAB COAT; VENT HOOD; PROPER GLOVES > Storage Color Code: Blue (Health) > --- > > **Potential Health Effects** > -- > > **Inhalation:** > Inhalation of dust may irritate the mucous membranes and respiratory tract. High concentrations may produce effects paralleling ingestion. > **Ingestion:** > Toxic. The adult mean lethal dose is approximately 10 gm. Large doses may produce palpitation, excitement, insomnia, dizziness, headache and vomiting. > **Skin Contact:** > Causes irritation to skin. Symptoms include redness, itching, and pain. > **Eye Contact:** > Causes irritation, redness, and pain. > **Chronic Exposure:** > Excessive use of caffeine may lead to digestive disturbances, constipation, palpitations, shortness of breath and depressed mental states. Possible teratogen. May cause congenital malformation in the fetus. > **Aggravation of Pre-existing Conditions:** > No information found.

4. First Aid Measures
> **Inhalation:** > Remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical attention. > **Ingestion:** > Induce vomiting immediately as directed by medical personnel. Never give anything by mouth to an unconscious person. Get medical attention. > **Skin Contact:** > Immediately flush skin with plenty of water for at least 15 minutes. Remove contaminated clothing and shoes. Get medical attention. Wash clothing before reuse. Thoroughly clean shoes before reuse. > **Eye Contact:** > Immediately flush eyes with plenty of water for at least 15 minutes, lifting lower and upper eyelids occasionally. Get medical attention immediately.

5. Fire Fighting Measures
> **Fire:** > As with most organic solids, fire is possible at elevated temperatures or by contact with an ignition source. > **Explosion:** > Fine dust dispersed in air in sufficient concentrations, and in the presence of an ignition source is a potential dust explosion hazard. > **Fire Extinguishing Media:** > Water spray, dry chemical, alcohol foam, or carbon dioxide. > **Special Information:** > In the event of a fire, wear full protective clothing and NIOSH-approved self-contained breathing apparatus with full facepiece operated in the pressure demand or other positive pressure mode.

6. Accidental Release Measures
> Remove all sources of ignition. Ventilate area of leak or spill. Wear appropriate personal protective equipment as specified in Section 8. Spills: Clean up spills in a manner that does not disperse dust into the air. Use non-sparking tools and equipment. Reduce airborne dust and prevent scattering by moistening with water. Pick up spill for recovery or disposal and place in a closed container. > >

7. Handling and Storage
> Keep in a tightly closed container, stored in a cool, dry, ventilated area. Protect against physical damage. Containers of this material may be hazardous when empty since they retain product residues (dust, solids); observe all warnings and precautions listed for the product.

8. Exposure Controls/Personal Protection
> **Airborne Exposure Limits:** > None established. > **Ventilation System:** > A system of local and/or general exhaust is recommended to keep employee exposures as low as possible. Local exhaust ventilation is generally preferred because it can control the emissions of the contaminant at its source, preventing dispersion of it into the general work area. Please refer to the ACGIH document, //Industrial Ventilation, A Manual of Recommended Practices//, most recent edition, for details. > **Personal Respirators (NIOSH Approved):** > For conditions of use where exposure to the dust or mist is apparent, a half-face dust/mist respirator may be worn. For emergencies or instances where the exposure levels are not known, use a full-face positive-pressure, air-supplied respirator. WARNING: Air-purifying respirators do not protect workers in oxygen-deficient atmospheres. > **Skin Protection:** > Wear impervious protective clothing, including boots, gloves, lab coat, apron or coveralls, as appropriate, to prevent skin contact. > **Eye Protection:** > Use chemical safety goggles and/or full face shield where dusting or splashing of solutions is possible. Maintain eye wash fountain and quick-drench facilities in work area.

9. Physical and Chemical Properties
> **Appearance:** > White powder. > **Odor:** > Odorless. > **Solubility:** > 1 gm in 46 mls water. > **Specific Gravity:** > 1.23 > **pH:** > 6.9 (1% aqueous solution) > **% Volatiles by volume @ 21C (70F):** > 0 > **Boiling Point:** > 178C (352F) (sublimes) > **Melting Point:** > 238C (460F) > **Vapor Density (Air=1):** > No information found. > **Vapor Pressure (mm Hg):** > No information found. > **Evaporation Rate (BuAc=1):** > No information found.

10. Stability and Reactivity
> **Stability:** > Stable under ordinary conditions of use and storage. > **Hazardous Decomposition Products:** > Burning may produce carbon monoxide, carbon dioxide, nitrogen oxides. > **Hazardous Polymerization:** > Will not occur. > **Incompatibilities:** > Incompatible with strong oxidizers, iodine silver salts, tannins, and with strong solutions of caustic alkalis. > **Conditions to Avoid:** > Heat, flames, ignition sources and incompatibles.

11. Toxicological Information
> **Toxicological Data:** > Oral rat LD50: 192 mg/kg. Investigated as a tumorigen, mutagen, reproductive effector. > **Reproductive Toxicity:** > May cause teratogenic effects. code \Cancer Lists\-- ---NTP Carcinogen--- Ingredient Known Anticipated IARC Category - --- - Caffeine (58-08-2) No No 3

code

12. Ecological Information
> **Environmental Fate:** > When released into the soil, this material may biodegrade to a moderate extent. When released into water, this material may biodegrade to a moderate extent. This material is not expected to significantly bioaccumulate. > **Environmental Toxicity:** > No information found.

13. Disposal Considerations
> Whatever cannot be saved for recovery or recycling should be managed in an appropriate and approved waste disposal facility. Processing, use or contamination of this product may change the waste management options. State and local disposal regulations may differ from federal disposal regulations. Dispose of container and unused contents in accordance with federal, state and local requirements.

14. Transport Information
> **Domestic (Land, D.O.T.)** > --- > **Proper Shipping Name:** TOXIC SOLID, ORGANIC, N.O.S.(CAFFEINE) > **Hazard Class:** 6.1 > **UN/NA:** UN2811 > Packing Group: III > **Information reported for product/size:** 500G > > **International (Water, I.M.O.)** > - > **Proper Shipping Name:** TOXIC SOLID, ORGANIC, N.O.S.(CAFFEINE) > **Hazard Class:** 6.1 > **UN/NA:** UN2811 > Packing Group: III > **Information reported for product/size:** 500G > > **International (Air, I.C.A.O.)** > - > **Proper Shipping Name:** TOXIC SOLID, ORGANIC, N.O.S.(CAFFEINE) > **Hazard Class:** 6.1 > **UN/NA:** UN2811 > Packing Group: III > **Information reported for product/size:** 500G

15. Regulatory Information
> code \Chemical Inventory Status - Part 1\- Ingredient TSCA EC Japan Australia --- --- - - Caffeine (58-08-2) Yes Yes Yes Yes

\Chemical Inventory Status - Part 2\- --Canada-- Ingredient Korea DSL NDSL Phil. --- - --- - Caffeine (58-08-2) Yes Yes No Yes

\Federal, State & International Regulations - Part 1\ -SARA 302- --SARA 313-- Ingredient RQ TPQ List Chemical Catg. - --- - -- Caffeine (58-08-2) No No No No

\Federal, State & International Regulations - Part 2\ -RCRA- -TSCA- Ingredient CERCLA 261.33 8(d) - -- -- -- Caffeine (58-08-2) No No No

Chemical Weapons Convention: No TSCA 12(b): No CDTA: No SARA 311/312: Acute: Yes Chronic: Yes Fire: No Pressure: No Reactivity: No (Pure / Solid)

code > > > **Australian Hazchem Code:** 2(Z) > **Poison Schedule:** None allocated. > **WHMIS:** > This MSDS has been prepared according to the hazard criteria of the Controlled Products Regulations (CPR) and the MSDS contains all of the information required by the CPR.

16. Other Information
> **NFPA Ratings:** Health: **2** Flammability: **1** Reactivity: 0 > **Label Hazard Warning:** > WARNING! HARMFUL IF SWALLOWED OR INHALED. CAUSES IRRITATION TO SKIN, EYES AND RESPIRATORY TRACT. POSSIBLE BIRTH DEFECT HAZARD. MAY CAUSE BIRTH DEFECTS BASED ON ANIMAL DATA. > **Label Precautions:** > Avoid contact with eyes, skin and clothing. > Avoid breathing dust. > Keep container closed. > Use only with adequate ventilation. > Wash thoroughly after handling. > **Label First Aid:** > In case of contact, immediately flush eyes or skin with plenty of water for at least 15 minutes. Remove contaminated clothing and shoes. Wash clothing before reuse. If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. If swallowed, induce vomiting immediately as directed by medical personnel. Never give anything by mouth to an unconscious person. In all cases, get medical attention. > **Product Use:** > Laboratory Reagent. > **Revision Information:** > No Changes. > **Disclaimer:** > **Mallinckrodt Baker, Inc. provides the information contained herein in good faith but makes no representation as to its comprehensiveness or accuracy. This document is intended only as a guide to the appropriate precautionary handling of the material by a properly trained person using this product. Individuals receiving the information must exercise their independent judgment in determining its appropriateness for a particular purpose. MALLINCKRODT BAKER, INC. MAKES NO REPRESENTATIONS OR WARRANTIES, EITHER EXPRESS OR IMPLIED, INCLUDING WITHOUT LIMITATION ANY WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE WITH RESPECT TO THE INFORMATION SET FORTH HEREIN OR THE PRODUCT TO WHICH THE INFORMATION REFERS. ACCORDINGLY, MALLINCKRODT BAKER, INC. WILL NOT BE RESPONSIBLE FOR DAMAGES RESULTING FROM USE OF OR RELIANCE UPON THIS INFORMATION.** > **Prepared by:** Environmental Health & Safety > Phone Number: (314) 654-1600 (U.S.A.) > 10) > ** The TSP instrument start-up needs to be performed in a specific way. Get a TA to show you the start up procedure. > I'm not sure we need benzoate, it was just in he directions I saw, so I included it. =__References:__=
 * Set up a folder in the E:\CH4212 directory. Save all method and data files in that folder.
 * Do not attach the column until all of the lines have been purged.
 * Never should the tubing be removed from the solvent reservoirs while the pump is running. Purging the pump can be difficult and time consuming.
 * Get the TA to show you how to save, create and load method files, check the instrument status, start a run and print the chromatogram.
 * The standard mixture is run from part 1 using a mobile phase composition of half buffered water and half methanol.
 * Then run the mixture using two different mobile phase compositions.
 * Prepare calibration curves for both caffeine and benzoate in order to quantify their concentrations in the unknown.
 * Using a mobile phase composition of half methanol and half buffered water, prepare and run three at minimum, different concentrations each of caffeine and benzoate. They are to be run through the machine separately.
 * Run coffee samples and calculate the mass/volume percent of caffeine and benzoate
 * Calculate the total amount of caffeine and benzoate in the whole cup of coffee.

Questions 1,2,3- <span style="border-collapse: collapse; color: #333333; font-family: 'times new roman',times,serif; font-size: 12px; letter-spacing: 2px; line-height: normal;">Henry, S. (1999, July 21). //Health benefits of caffeine//. Retrieved from http://www.fitwise.com/Benefits_Caffeine.asp Questions 4,5- Johnson, W. (2008). Coffee-health risks drinking too much. Questions 6,7,8- Westminster College SIM HPLC 1, //Determination of Caffeine in Beverages// //Questions 9,10-// <span style="color: #333333; display: block; font-family: times new roman,times,serif; font-size: 12px; font-style: normal; letter-spacing: 2px; margin-left: 20px; padding-bottom: 20px; padding-left: 20px; padding-right: 20px; padding-top: 20px; text-align: left; text-indent: -20px; width: 350px; word-wrap: break-word;">Xiang. Liu. Lee, Y. Y. M,L. (2005, November). //Ultrahigh pressure liquid chromatography using elevated temperature//.

=__**That is all.**__=