Andrew Allan, Katie Daniel & Helen Vincent

Wadham College

The ingredients of this product are:

Aqua, sodium laureth sulfate, disodium cocoamphodiacetate, dimethicone, cetyl alcohol, hydroxystearyl cetyl ether, guar hydroxypropyltrimonium chloride, cocamide MIPA, sodium cetearyl sulfate, sodium methyl paraben, DMDM hyantoin, phenoxyethanol, ethyl paraben, propylene glycol, 2-oleamido-1, 3-octadecanediol, propyl paraben, carbomer, methyl paraben, butyl paraben and parfum.

The following document gives some of the structures, properties and uses of these ingredients.

Sodium laureth sulfate is an Alkyl sulfate which is used in shampoos and bath products. These products are excellent foamers regardless of water hardness. Sodium laureth sulfate has low skin irritation properties making it suitable for mild cleansing as well as baby products.

There is some concern over the safety of sodium laureth sulfate as some sources say that it is a potential carcinogen due to the fact that it can undergo nitrosation to form cancerous nitrosamines.

At 25ºC sodium laureth sulfate is a liquid which is 28% active.

Another name for this compound is sodium polyethoxyethyldodecylsulfate, its molecular weight is 418.53.

The structure is:

This is an example of a proteric, which are mild non-ionic surfactants often used in place of the alkanolamides. It is often used in baby products as well as other frequent use cleansing products where low irritation is important. When used in combination with other surfactants they build viscosity, boost and stabilize foam, and have skin and hair conditioning properties.

Disodium cocoamphodiacetate is made by Protameen under the trade name Proteric CDX-38.

Other names used to describe dimethicone are silicone rubber, latex, dimethylpoly-siloxane, simethicone, dimethyl silicone, and dermafilm.

Dimethicone takes the form of a clear, viscous liquid. It is effective at very low concentrations and is inert, so it doesn’t interfere with any actual processes that are occurring. It is also non-toxic to human life.

Dimethicone is used in antiflatulent preparations, as antifoam in pharmaceutical processing, and as a defoaming agent in food processing

Its molecular weight is 74.14.

CAS: 9016-00-6

Molecular formula: C₂H₆OSi

Cetyl alcohol is also known as hexadecan-1-ol, palmityl alcohol, n-cetyl alcohol, n-hexadecanol, and hexadecyl alcohol.

Cetyl alcohol is a fatty alcohol which is used as secondary emulsifiers, viscosity and foam boosters in cleaning products, hair conditioners, creams and other cosmetics. It is also an opacifier.

Cetyl alcohol is a white waxy solid with a faint odour. It is stable but is incompatible with strong oxidising agents. It is an eye irritant and harmful if ingested in quantity.

Its melting point is 49.3ºC and its boiling point is 344ºC.

CAS: 36653824

It has a molecular weight of 242.44.

C₁₆H₃₄O

This is an anti-static agent.

This is in fact natural guar gum. It is used because of its conditioning properties and it is also a good anti-static agent. It is a film former and a viscosity controlling agent.

It takes the form of a yellowish, white powder and is water soluble < 0.1g / 100ml at 19ºC.

(Amides, coco, N- (2-hydroxypropyl))

Cocamide MIPA has several uses, including as an emulsifying agent, or an emulsion stabiliser, a surfactant, a viscosity controlling agent, a thickening emollient, an anticorrosive agent, a foam boosters or a foam stabilizer.

Some sources suggest that it is a suspected carcinogen, and that it has been identified by researchers and physicians ‘around the world’ as a cosmetic ingredient that has caused adverse or toxic effects.

The CAS (Chemical Abstract Service) registry number for cocamide MIPA is 68333-82-4.

MIPA itself is 1-amino-2-propanol. Other synonyms include Isopropanolamine, DL-1-amino-2-propanol, monoisopropanolamine, alpha-aminoisopropyl alcohol, 1-aminopropan-2-ol, 2-hydroxypropylamine, threamine, DL-Isopropanolamine.

It has a CAS registry number of 78-96-6, and a molecular formula of C₃H₅NO. Hence its molecular weight is 75.110.

The structure is:

Some of the physical properties of Monoisopropanolamide are:

Melting point 1.4° C

Boiling point 160° C

Flash point 73° C

Specific gravity 0.973

Water sol. "e10 g/100 mL at 19.8° C

Density 0.973 g/mL

It is a colourless, hygroscopic liquid.

Sodium cetearyl sulfate has a CAS number of 59186-41-3. It is a mixture of sulphuric acid, mixed cetyl and stearyl esters, and sodium salts.

It’s primary use is a surfactant.

It is claimed that sodium cetearyl sulfate is usually derived from animals, and hence may not be suitable for vegetarians.

Sodium methyl paraben is the sodium salt of methyl 4-hydroxybenzoate, formula C₈H₇NaO₃. It has a molecular weight of 174.13.

Its CAS registry number is 5026-62-0. It is hygroscopic.

Other synonyms for sodium methyl paraben include benzoic acid, 4-hydroxy-, methyl ester, sodium salt, and sodium methyl p-hydroxybenzoate

The structure is:

2-Phenoxyethanol has numerous synonyms, including phenoxetol, phenoxyethyl alcohol, arosol, ethylene glycol phenyl ether; 1-hydroxy-2-phenoxyethane, b-hydroxyethyl phenyl ether; ethylene glycol mono phenyl ether; euxyl K 400, phenyl cellosolve, phenoxethol, phenoxyl ethanol, glycol monophenyl ether, phenoxytol, phenylmonoglycol ether, 2-hydroxyethyl phenyl ether, beta-phenoxyethyl alcohol, dowanol ep, dowanol eph, emeressence 1160, emery 6705, and rose ether.

The molecular formula is C₈H₁₀O₂, and so it has a molecular weight of 138.17.

The structure is:

Some of 2-phenoxyethanol’s physical properties are :

Melting point 14° C

Boiling point 245° C

Flash point 130° C

Specific gravity 1.102

Water sol. 1-5 g/100 mL at 19.8° C

Density 1.102 g/mL

Vapour density 4.76

It is a clear, colorless, viscous liquid.

DMDM (dimethyloldimethl) hydantoin is a crystalline weekly acidic compound used in organic synthesis, and also as a preservative.

Its CAS number is 6440-58-0, and the chemical name is 1, 3- bis(hydroxymethyl)- 5, 5- dimethylimidazolidine- 2, 4- dione. Other synonyms include 1,3-bis (hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione, 1,3-dimethylol-5,5-dimethyl hydantoin, Dantoin dmdmh, Dimethyloldimethyl hydantoin, DMDMH, Glydant, Glydant Plus (95:5 mixture of DMDM hydantoin and Iodo propynyl butyl carbamate), Mackgard DM, Nipaguard DMDMH, Bis(hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione, Bis(hydroxymethyl)-5,5-dimethylhydantoin, Dantion DMDMH 55, Dantoguard, Dimethylol-5,5-dimethylhydantoin, Hydantoin, 1,3-bis(hydroxymethyl)-5,5-dimethyl-Imidazolidinedione, 1,3-bis(hydroxymethyl)-5,5-dimethyl-.

The basic molecular formula is C₇H₁₂N₂O₄, with a molecular weight of 188.18, but this substance is a mixture of many individual substances and so cannot be adequately represented by a single molecular structure.

As with cocamide MIPA, some sources suggest that it is a suspected carcinogen, and that it has been identified by researchers and physicians ‘around the world’ as a cosmetic ingredient that has caused adverse or toxic effects.

Ethyl paraben is more correctly Ethyl 4-hydroxybenzoate synonyms include 4-hydroxybenzoic acid ethyl ester, nipagin A, ethyl parasept; solbrol A

Its molecular formula is C₉H₁₀O₃, with a molecular weight of 166.18.

Some of the physical properties are:

Melting point 116 – 118° C

Boiling point 297-298° C

The structure is:

Propylene glycol is also known as : 1,2-propanediol; 1,2-dihydroxypropane; methylethylene glycol; trimethyl glycol; 1,2-propylene glycol; monopropylene glycol; propane-1,2,-diol; alpha-propylene glycol; downfrost; PG 12; sirlene; solar winter ban; propanediol; propyleneglycol or reagent (ACS).

The empirical formula is C₃H₈O₂. The molecular weight is 76.095 g mol^-1. The structure is:

Propylene glycol is produced commercially from propylene oxide, it is a clear, colourless, viscous liquid. It is a dihydric alcohol that is miscible with water (with a water solubility of greater than 10g per 100mL at 21° C), ethanol and ethereal oils. However, it is insoluble in hydrocarbons, fats and oils. The melting point of the chemical is –59° C, the boiling point is 187.6° C and the flash point is 107° C. The specific gravity is 1.036 and the vapour density is 2.6.

Due to its low toxicity when ingested, propylene glycol is suitable for use in cosmetic products. It is also biodegradable which makes it environmentally friendly.

Propylene glycol has many uses. It is a stabilising agent for ethereal oils and a humecant for emulsions. As it binds moisture to itself and repels grease it is used in moisturising products such as shampoo. It is also an anti-freeze and an engine coolant as well as being found in hydraulic fluid, liquid detergents, paints, tobacco and dog food.

2-Oleamido-1 is used as an additive in shampoo.

3-Octadecanediol has an empirical formula C₁₈H₃₈O₂ and a molecular weight of

286.50 g mol^-1. The structure is :

3-Octadecanediol is also used as an additive in cosmetic products.

Propyl paraben is also known as : nipasol; chemocide PK; propyl chemosept; solbrol P; propyl parasept; propyl 4-hydroxybenzoate; chemoside PK; 4-hydroxybenzoic acid propy ester; parabens; p-hydroxy propyl benzoate; n-propyl p-hydroxybenzoate; aseptoform p; betacide p; bonomold op; nipasol m; paseptol; preservap p; propyl aseptoform; protaben p; tegosept p; pulvis conservans; 4-hydroxybenzoic propy ester; propagin; propyl butex; nipazol; nipagin p; nipasol p; chemacide PK; propyl chemsept or n-propyl paraben.

The empirical formula is C₁₀H₁₂O₃ and the molecular weight is 180.20 g mol^-1. The structure is :

Propyl paraben is formed as colourless crystals or a white powder. It has a melting point of 95-98° C and a boiling point of 133° C. Its water solubility is less than 0.1g per 100mL at 12° C.

It is a food grade preservative that is often confused with paraffin. In antibacterial ointments, dermatological preparations, proprietary lotions, skin creams and other cosmetic products it is used as an anti-fungal agent. It is also used for mould control in sausage casings, as a fungacide and in pharmaceutic acid which is an anti-fungal agent for cats.

Carbomer is also known as : polyacrylic acid; acrylic acid polymer; 2-propenoic acid, homopolymer; propenoic acid polymer; propenoic acid, polymers, homopolymer; carbopol 940; acrylic polymer resins; propenoic acid, homopolymer or poly(acrylic acid), sec.stand.,aver.M.W.1.080.000, aver.M.N. 135.000.

The empirical formula is [C₃H₄O₂]_n and the molecular weight is 72.063 g mol^-1. The structure of the monomer unit is :

However, carbomer is often found as a polymer of molecular weight ~ 4500 g mol^-1.

The structure of the polymer is :

The melting point of carbomer is 106° C and the specific gravity is 1.09.

After neutralisation with amines or other alkalis carbomer has a thickening, gelling action. As a consequence of this it is used as a consistency regulator in cosmetic products such as shampoo. Alternatively, it can be used as a detergent polymer.

Methyl paraben is also known as : methyl 4-hydroxybenzoate; methyl chemosept; methyl parasept; 4-hydroxybenzoic acid methyl ester; nipagin M; tegosept M; aseptoform; nipagin or 4-hydroxy methyl benzoate.

The empirical formula is C₈H₈O₃ and the molecular weight is 152.15 g mol^-1. The structure is :

Methyl paraben is derived from benzoic acid. A common source is the gum benzoin tree. However, it is also found to be one of five components of the American Queen Bee pheromone. The compound is formed as white needles which have a melting point of 128° C.

It is non-toxic and so is approved for use in foods. The common uses include the use of a preservative in foods, pharmaceutical preparations, beverages and cosmetic products. It is found to be effective against a wide range of bacteria and fungi. Typical concentrations that are used are 0.2 to 0.3%.

Butyl paraben is also known as : n-butyl paraben; n-butyl p-hydroxybenzoate; butyl 4-hydroxybenzoate; butoben; butyl chemosept; butyl parasept; tegosept B; p-hydroxybenzoic acid n-butyl ester; 4-(butoxycarbonyl)phenol; aseptoform butyl; butyl tegosept; nipabutyl; solbrol b; preserval b; SPF; tegosept butyl; butyl butex; p-hydroxy butyl benzoate or 4-hyroxybenzoic acid butyl ester.

The empirical formula is C₁₁H₁₄O₃ and the molecular weight is 194.23 g mol^-1. The structure is :

Butyl paraben is formed as colourless crystals or as a white crystalline powder. The melting point is 68-69° C, the specific gravity is 1.28 and the water solubility is less than 0.1g per 100mL at 17° C.

In cosmetic products it is used as an anti-bacterial agent.

http://www.chemfinder.com

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http://www.ultranet.com

http://www.naturalmom.com

http://www.physchem.ox.ac.uk

http://www.technimed.com/silicones

http://www.nist.gov

http://www.protameen.com

http://www.monthly.com

http://www.cdpr.ca.gov/cgi-bin/epa/

http://www.colby.edu/chemistry/cmp/

http://dg3.eudra.org/Inci/

http://www.skincare-institute.com/ie/

http://home.sprynet.com/~jfp/

http://www.stepan.com/products/

http://www.infinet.com/~egsmith/press/

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