1. Formulating Making cosmetics & personal care products Perry Romanowski
Midwest Chapter of the Society of Cosmetic Chemists
10/02/07

2. Agenda Naming Chemicals Raw materials Formula types
Creating and testing formulas

3. Personal Care & Cosmetic Products
All of them are required to have
List of Ingredients (LOI)

4. Formulating Naming Cosmetic Chemicals
Chemical Nomenclature
INCI Dictionary (11th edition)
Legal names & cross references
Sources
Regulatory info
Application info

6. Formulating Naming Cosmetic Compounds
Chemical Nomenclature Systems
Semisystematic method
Uses common names
Low molecular weight compounds
IUPAC (International) System
The one taught in college
Highly structured
Figure out chemical structure from name
INCI Conventions
Blends both systems
For semisystematic we have names like Methane, Propane, and Butane

7. Formulating Naming Cosmetic Compounds
Carbons IUPAC INCI INCI
Main Chain Stem name Fatty acids Fatty alcohols
8 Octane Caprylic Caprylyl
9 Nonane Pelagronic Nonyl
10 Decane Capric Decyl
11 Undecane Undecanoic Undecyl
12 Dodecane Lauric Lauryl
13 Tridecane Tridecanoic Tridecyl
14 Tetradecanoic Myristic Myristyl
15 Pentadecanoic Pentadecanoic Pentadecyl
16 Hexadecanoic Palmitic Cetyl
17 Heptadecanoic Margaric Heptadecyl
18 Octadecane Stearic Stearyl
19 Nonadecane
20 Eicosane Arachidic Arachidyl

8. Formulating Naming Cosmetic Compounds
INCI is a little different than IUPAC
Fatty Acids Stems
12 Carbon, straight chain fatty acid
IUPAC it’s Dodecanoic Acid
INCI it’s Lauric Acid
Sodium Dodecyl Sulfate is Sodium Lauryl Sulfate
16 Carbon, straight chain alcohol
In IUPAC we call it Hexadecanol
In INCI it’s known as Cetyl Alcohol

9. Formulating INCI System
Source Derived Stems
Most ingredients are not pure but mixtures
Coconut oil, palm kernel oil, soybean oil
Ammonium Coco-Sulfate
Cocotrimonium chloride

10. Formulating Fatty Acid Distributions

11. Formulating INCI system
Derivatives
Ethers, name both alkyls add ether
an 18 C & 16 C linked by O is Stearyl Cetyl Ether
Esters formed by reacting alcohol with acid
Named in 3 parts
Myristyl Stearate – Myristyl alcohol reacted with Stearic acid

12. Formulating An example
Cetyl Alcohol
Palmitic Acid
CH3-(CH2)-14-CH2 - OH
HOOC -(CH2)-14-CH3 O ||
CH3-(CH2)14-CH2 – O – C -(CH2)14-CH3
Cetyl Palmitate

13. Formulating INCI system
Alkanolamides - Alkyl groups reacted with amino groups
RCO = fatty acid radical
X = -CHR'CH2OH
Y = -H or a lower alkyl group
Examples
DEA – diethanolamine
TEA – triethanolamine
Cocamide DEA

14. Formulating INCI system
Quaternized materials
Fatty acids linked to an ammonium ion
Maintain a positive charge
add the suffix “-ium” depending on number of substitutions
Cetrimonium Chloride
Quaternium & Polyquaternium denoted by arbitrary numbers

15. Formulating INCI system
Polyquaternium-44
vinylpyrrolidone and quaternized imidazoline monomers

16. Formulating INCI System - Silicones
Silicones - non-carbon based ingredients
Dimethicone (Dimethyl polysiloxane)
Dimethicone copolyol (has polyoxyethylene groups to improve water solubility)
Cyclomethicone
Siloxane
Silica – SiO2

17. Varieties of Silicones
Dimethicone Copolyol

18. Formulating INCI System - Polymers
PEG (Polyethylene glycol)
PPG (Polypropylene glycol)
Number designates moles of ethylene oxide
Adapted from trade names
Carbomer
Nylon-6
Note: Compounds are often referred to by their trade names

19. Formulating Colorants
6,6'-(1,4-anthraquinonylenediimino)di-m-toluenesulfonic acid
disodium salt
Green 5 (CI 61570)

20. Formulating Colorants
Unwieldy chemical names replaced
FD&C (Food, Drug & Cosmetic)
D&C ext (Drug & Cosmetic external use)
Recently changed to be more global
eg. FD&C Yellow no. 6 is now Yellow 6 (CI 15985)
485 approved colorants for cosmetics
Natural Ingredients
Water
Extracts use latin names (Aloe Barbadensis Leaf Extract )
lanolin, menthol, beeswax, tea tree oil
Perfume is just called Fragrance

21. Formulating List of Ingredients (LOI)
Ingredient Labeling
US Legal requirement
Use standardized names
Proper order
In order above 1%
Below 1% is arbitrary except
Colors at the end
Fragrance allergens

22. Formulating Exercise – List of Ingredients
Ingredient Labeling
Where is the 1% line?
Tips:
Fragrance is rarely over 1%
Adjustment ingredients are low
Natural sounding ingredients are lower

23. Formulating Where is the 1% line?
Hair Shampoo formula
Water, Ammonium Lauryl Sulfate, Ammonium Laureth Sulfate, Sodium Chloride, Cocoamide MEA, Glycol Distearate, Dimethicone, Ammonium Xylenesulfonate, Vanilla Planifolia Fruit Extract, Cocos Nucifera Milk Coconut, Fragrance, Cetyl Alcohol, Polyquaternium-10, Sodium Citrate, Sodium Benzoate, Disodium EDTA, PEG-7M, Citric Acid, Propylene Glycol, Methylchloroisothiazolinone, Methylisothiazolinone, Blue No. 1.
Certainly prior to Vanilla extract
Probably between Gylcol Distearate & Dimethicone

24. Formulating Where is the 1% line?
Hair Conditioner formula
Water (aqua), Cetearyl Alcohol, Glycerin, Cyclomethicone, Behentrimonium Methosulfate, Behentrimonium Chloride, Cetyl Alcohol, Wheat Germ Oil (triticum vulgare), Hydrolyzed Silk, Panthenol, Tocopheryl Acetate, Jojoba Oil (buxus chinensis), Aloe Barbadensis Leaf Juice, Fragrance, Propylene Glycol, Methylparaben, Propylparaben, Diazolidinyl Urea, Citric Acid, Red 33, Blue 1
Body Wash
Water, Sodium Laureth Sulfate, Cocamidopropyl Betaine, Acrylates Copolymer, Fragrance, Sodium Lauroamphoacetate, Citric Acid, Oxidized Polyethylene, Sea Salt, Sodium Benzoate, Polyquaternium 10, Disodium EDTA, Sodium Hydroxide, Methylchloroisothiazolinone, Methylisothiazolinone, Ferric Ammonium Ferrocyanide
Should be Simmondsia Chinensis (Jojoba) Seed Oil

25. Cosmetic Raw Materials

26. Cosmetic Raw Materials
Surfactants
Conditioning ingredients
Polymers
Preservatives
Fragrances
Colorants
Claims ingredients
Most were discussed previously in first, second or third lectures

27. Formulating Conditioning Agents
Definition/Description
Any material that improves the condition of biological surfaces
Substantivity
Resistance to rinse-off
Conditioning agents stay on the surface
Water insoluble or electrostatic

28. Formulating Conditioning Agents
Hair Conditioners
Makes hair easier to comb
Improve shine, feel, & manageability
Hair strength
Skin Conditioners (Moisturizers)
Reduce dryness, flaking
Soften
Protect from sun, wind, detergents...

29. Conditioner What Does It Do?
Smoothes cuticle to improves hair’s “condition”
Improves combing, manageability, smoothness, and shine
Before, cuticles are lifted and rough
After, cuticles are tight and smoother

30. Formulating Types of Conditioning Agents
Cationic Surfactants (Quats)
*Cationic Polymers
*Emollients
*Humectants
*Occlusives
*Most of these were discussed previously in first and third lecture

31. Formulating Quaternized Ammonium Compounds
(Quats) Cationic Surfactants
Ammonium Salts
Long chain from 12 to 22 carbons. Oily

32. Formulating Quaternized Ammonium Compounds
Examples
Amines
Cetrimonium Chloride
Stearalkonium Chloride
How they condition

33. Formulating Quaternized Ammonium Compounds
On the surface
Hair cuticle is smoothed
Softer feel
Easier to Comb
Less Static
Some issues with irritation
Generally incompatible with anionics...

34. Cosmetic Chemistry Quiz #1
Which ingredient is NOT currently used in cosmetics?
Cow Dung
Sheep placenta
Whale Semen
Chicken bone marrow

35. Formulating

36. Formulating Product Definition
Physical Parameters
Aesthetic Considerations
Performance
Packaging
Operational Issues
Cost

37. Formulating The process
Starting Formulation
Make Test Batches
Test prototypes

38. Formulating Starting Formulations
How Do You Begin?
Experience
Supplier Formularies
Reference Texts
de Navarre series
Bennet formulary
Check patent literature, monthly trade journals
Peer Advice
Competitive Research

39. Formulating Competitive research
Look at the LOI of competitive products
Use the 1% line exercise to guess at formula
Sources of LOI and claims information

40. Formulating Starting Formulations
Work within product constraints
Consider Formula Cost
Production capability
Regulatory issues
Global formulations...

41. Types of formulas: Solutions
Simplest formulation
Homogenous mixture of ingredients
Applications
Shampoo
Body wash
Hand cleanser
Cologne
Bath oils...

42. Types of formulas: Emulsions – Making Them
Talked about these last week
Formulation
Oil and Water Phase are mixed separately
Oil phase is heated
to melt waxes & fatty alcohols
Mixed with surfactants
Cooled while being agitated
this makes the appropriate particle size

43. Types of formulas: Emulsions
Applications
Hand creams
Make up
Hair conditioners
Shaving cream
Sunscreens...

44. Types of formulas: Gels
Solid or semi solid materials in colloidal state
Semi liquid products dispensed from a tube
Single phase
Clear products
Shear thinning
when force is applied they get thinner
Like ketchup

45. Types of formulas: Gels
Gelling agents – 3 types
Acrylic Polymers
Carbomer
Thickens when polymeric chains chemically bond
Natural gums
Water swellable materials
Oil swellable materials for anhydrous gels
Cellulosics
Hydroxymethylcellulose

46. Types of formulas: Gels
Formulation
Gelling agent causes thickening
Added at the end
Reduces bubbling
Typically, good stability

47. Types of formulas: Gels
Applications
Hair gels
Body care
Shower gels
Facial care
Shaving gel
Oral care
toothpaste...

48. Types of formulas: Sticks
Solid delivery form
Delivers insoluble actives
Good for products you don’t want to touch
Packaging is important
Actives are delivered by rubbing action

49. Types of formulas: Sticks
Four types of sticks
Wax & oil mixtures
Beeswax or Carnuaba
Pigment delivery
Solidified soaps
Propylene glycol with sodium stearate
Fragrance delivery

50. Types of formulas: Sticks
Four types of sticks
Fatty alcohols with volatile silicones
Stearyl Alcohol with Cyclomethicone
Silicone improves feel
Dibenzylidene sorbitol
Gelling agent that creates clear sticks

51. Types of formulas: Sticks
Manufacture – 2 ways
Pre-molding method
Hot fill method
Applications
Lipsticks
Fragrance sticks
Antiperspirants/Deodorants...

52. Types of formulas: Aerosols
Gaseous suspension of colloidal particles
Classic college example is fog or ocean mist
Self-contained pressurized spray system
Developed during WWII
deliver insect repellant
Hairsprays introduced late 1940s

53. Types of formulas: Aerosols
Applications
Hairsprays
Shaving creams
Anitperspirants
Deodorants

54. Types of formulas: Aerosols
Four Primary Components
Outer Packaging (Can)
Valve system
Active Ingredients
Propellant

55. Types of formulas: Aerosols Packaging
Outer Packaging
Tin plate cans
3 pieces of steel
Crown (top)
Cylinder (body)
Base (bottom)
coated with epoxy
Aluminum cans
One-piece construction

56. Types of formulas: Aerosols Packaging
Valve
Diptube
Polyethylene
Valve body
Main piece
Actuator
Connects to stem
Housing
valve cup

57. Types of formulas: Aerosols Formulations
Concentrate Chemistry
Active ingredients
Solvents (water/alcohol)
Propellant
Hydrocarbons
Hydrofluorocarbons
Dimethyl ether
Compressed gas

58. Types of formulas: Aerosols Forms
Product forms
Solutions
Emulsions
Powder Dispersions
Foaming Gels
Aerosol Alternatives
Non-aerosols
Pump sprays...

59. Chemistry Quiz #2 Which one is the FAKE beauty gadget?
Wand that shoots oxygen into your skin to smooth, tone & stimulate
Hand held laser that makes your hair grow
Electronic headband that relaxes muscles to remove wrinkles
Ceramic unipolar magnet that controls acne

60. Creating formulas

61. Creating Formulas Preparing Test Batches
Prepare!
Identify Raw Materials
Document Manufacturing Procedure
Use lab notebooks
Print out batch sheets
Get Raw materials
Check Equipment

62. Creating Formulas Preparing Test Batches
It’s just like following a recipe.
instead of eggs, milk & flour
we use SLS, Cocamidopropyl betaine, DMDM Hydantoin
Identify Raw Materials
Learn trade & INCI names
Know why material is used
Physical form - liquid, solid
Special Handling (MSDS)

63. Creating Formulas Preparing Test Batches
Review the manufacturing procedure
Assemble the equipment
mixers, mills, balances, heating & cooling
Special equipment
Homogenizers for thick products
Record the Specifications!

64. Creating Formulas Preparing Test Batches
Before you make the batch
Print out batch sheets

65. Creating Formulas Preparing Test Batches
Make a trial batch
Keep batch notes
Times, temperature, changes
Evaluate/Test
Should match specifications pH
Viscosity
Appearance / odor
Emulsions should be homogenous
Formula should function properly

66. Creating Formulas Preparing Test Batches
Make Adjustments
pH can be adjusted with acid or base
In some systems, viscosity can be adjusted with salt
Some batches you just pitch!
Repeat, Repeat, Repeat...

67. Creating Formulas : Scale up
Problems to watch out for:
Compositional Deviations
Processing Changes
Mixing conditions
Heat Transfer
Raw Material Variations
Salt content
Chemical Activity

68. Creating Formulas It works! Now What?
Stability Testing
Evaluate Filling Equipment
Establish Packaging
Congratulations! You are a cosmetic chemist

69. Cosmetic Chemistry Quiz #3
Which one is the FALSE headline?
Rich people are more prone to skin cancer
Prolonged use of muscle pain cream can kill you
You can become addicted to tanning
Your skin is home to over 182 species of mites

70. Free Entry for first 5 people
Who contact…
Scott Wenzel
(920)

71. Thanks! Reviewed chemical nomenclature Common raw materials
Formulating Summary
Reviewed chemical nomenclature
Common raw materials
Formulation types
Batching & testing
Thanks!

72. Formulating Questions?