Flavoring Chemical Information

The following flavoring chemicals were quantified in this study. These chemicals were targeted as they are the most commonly found in e-liquid to date.

Name: 3-hydroxybutan-2-one

CAS: 513-86-0

Chemical structure¹:

 

Flavor Descriptor (Taste): creamy, dairy, sweet, oily, milky, buttery, yogurt

Inhalation Hazard Identification: Not Determined²

Inhalation Toxicity:

Inhalation or contact with material may irritate or burn skin and eyes.¹

Not determined   ²

Name: Benzaldehyde

CAS: 100-52-7

Chemical structure¹:

 

Flavor Descriptor (Taste): sweet, oily, almond, cherry, nutty, woody

Inhalation Hazard Identification: Acute toxicity, Inhalation (Category 4), H332  ²

Inhalation Toxicity:

Inhalation of concentrated vapor may irritate eyes, nose and throat. U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.¹

inhalation-mouse and rat LC > 500 mg/m3

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(11), Pg. 40, 1974.²

Name: phenylmethanol

CAS: 100-51-6

Chemical structure¹:

 

Flavor Descriptor (Taste): chemical, fruity, cherry, almond, balsamic, bitter

Inhalation Hazard Identification: Acute toxicity, Inhalation (Category 4), H332  ²

Inhalation Toxicity:

Inhalation of vapor may cause irritation of upper respiratory tract. Prolonged or excessive inhalation may result in headache, nausea, vomiting, and diarrhea. In severe cases, respiratory stimulation followed by respiratory and muscular paralysis, convulsions, narcosis and death may result. U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.¹

inhalation-rat LCLo 1000 ppm/8H

AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.  ²

Name: butyric acid

CAS: 107-92-6

Chemical structure¹:

 

Flavor Descriptor (Taste): acidic sour cheesy dairy creamy fruity

Inhalation Hazard Identification: Not Determined²

Inhalation Toxicity:

Inhalation causes irritation of mucous membrane and respiratory tract; may cause nausea and vomiting. U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.¹

inhalation-mouse and rat LC > 500 mg/m3

LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI

Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 4, Pg. 19, 1962. ²

Name: (E)-3-phenylprop-2-enal

CAS: 14371-10-9

Chemical structure¹:

 

Flavor Descriptor (Taste): Cinnamon, spicy

Inhalation Hazard Identification: Not Determined ²

Inhalation Toxicity:

Vapor or mist is irritating to eyes, mucous membranes, and upper respiratory tract; No evidence of carcinogenicity in mice or rats; [NTP] A skin and strong eye irritant; May cause skin sensitization; [Sigma-Aldrich MSDS]¹

Name: 2-ethyl-3-hydroxypyran-4-one

CAS: 4940-11-8

Chemical structure¹:

Flavor Descriptor (Taste): sweet, sugar burnt sugar, cotton candy, jammy, strawberry

Inhalation Hazard Identification: Not Determined²

Inhalation Toxicity:

Not Determined²

Name: methyl 2-hydroxybenzoate

CAS: 119-36-8

Chemical structure¹:

 

Flavor Descriptor (Taste): sweet, wintergreen, root beer, aromatic, balsamic

Inhalation Hazard Identification: Not Determined²

Inhalation Toxicity:

Harmful if swallowed, inhaled, absorbed through skin. Vapor mist is irritating to the eyes, mucous membranes, upper respiratory tract and skin. Causes nausea, vomiting, acidosis, pulmonary edema, pneumonia, convulsions and death. U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.¹

Name: ethyl 2-hydroxybenzoate

CAS: 118-61-6

Chemical structure¹:

 

Flavor Descriptor (Taste): sweet, wintergreen, spicy, anisic

Inhalation Hazard Identification: R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 20/21 - When using do not eat, drink or smoke.²

Inhalation Toxicity:

Not Determined²

Name: 3-ethoxy-4-hydroxybenzaldehyde

CAS: 121-32-4

Chemical structure¹:

 

Flavor Descriptor (Taste): sweet, creamy, vanilla, caramellic

Inhalation Hazard Identification: R 36/37/38 - Irritating to eyes, respiratory system, and skin.²

Inhalation Toxicity:

Not Determined²

Name: 4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane

CAS: 470-82-6

Chemical structure¹:

 

Flavor Descriptor (Taste): minty, camphoreous, cooling, eucalyptus, medicinal

Inhalation Hazard Identification: Not Determined²

Inhalation Toxicity:

The symptoms associated with this compound include: epigastric burning with nausea and usually vomiting; vertigo; ataxia; muscle weakness; stupor; pallor; and sometimes - cyanosis, respiratory stridor and miosis. Delirium and occasionally convulsions may occur. Symptoms may be delayed for 24 hours, rarely.ACUTE/CHRONIC HAZARDS: This compound may cause irritation on contact. National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.¹

Name: 2-methoxy-4-prop-2-enylphenol

CAS: 97-53-0

Chemical structure¹:

 

Flavor Descriptor (Taste): sweet, warm, spicy, clove, phenolic, woody

Inhalation Hazard Identification: R 36/37/38 - Irritating to eyes, respiratory system, and skin.²

Inhalation Toxicity:

Irritation of the skin, eyes and respiratory tract occurs. Inhalation of this compound can lead to bronchial irritation, dizziness, and rapid and shallow breathing. Symptoms of exposure to this type of compound include intense irritation of all tissues, circulatory collapse, dysuria, hematuria, unconsciousness, tachycardia, pulmonary edema, bronchial pneumonia, abortion and irreversible renal damage. ACUTE/CHRONIC HAZARDS: This compound may be harmful by ingestion or inhalation. It is a primary irritant and sensitizer. When heated to decomposition it emits acrid smoke, irritating fumes and toxic fumes of carbon monoxide and carbon dioxide. National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.¹

inhalation-rat LC > 2580 mg/m3/4H

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

Archives of Toxicology. Vol. 62, Pg. 381, 1988.²

Name: 4-Hydroxy-2,5-dimethyl-3(2H)furanone

CAS: 3658-77-3

Chemical structure¹:

 

Flavor Descriptor (Taste): Fruity, Caramel, Pineapple, Strawberry, Jammy, Praline

Inhalation Hazard Identification: S 20/21 - When using do not eat, drink or smoke.²

Inhalation Toxicity:

Not Determined²

Name: p-anisaldehyde, 3-hydroxy-

CAS: 621-59-0

Chemical structure¹:

 

Flavor Descriptor (Taste): Not for flavor use

Inhalation Hazard Identification: H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]¹

Inhalation Toxicity:

Not Determined²

Name: 1-methyl-4-prop-1-en-2-ylcyclohexene

CAS: 138-86-3

Chemical structure¹:

 

Flavor Descriptor (Taste): Not found

Inhalation Hazard Identification: P261 - Avoid breathing dust/fume/gas/mist/vapours/spray.²

Inhalation Toxicity:

Not Determined²

Name: 3-hydroxy-2-methylpyran-4-one

CAS: 118-71-8

Chemical structure¹:

 

Flavor Descriptor (Taste): sweet, cotton candy, caramellic, jammy, fruity, berry

Inhalation Hazard Identification: S 20/21 - When using do not eat, drink or smoke.²

Inhalation Toxicity:

Not Determined²

Name: (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol

CAS: 2216-51-5

Chemical structure¹:

 

Flavor Descriptor (Taste): cooling, camphoreous, minty, clean, spicy

Inhalation Hazard Identification: R 37/38 - Irritating to respiratory system and skin.²

Inhalation Toxicity:

Name: (5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one

CAS: 89-82-7

Chemical structure¹:

 

Flavor Descriptor (Taste): minty, sulfurous, fruity, currant black currant, raspberry, fresh, green, leafy

Inhalation Hazard Identification: S 20/21 - When using do not eat, drink or smoke.²

Inhalation Toxicity:

May be harmful if swallowed or inhaled; [Sigma-Aldrich MSDS]¹

Name: 1,3-diacetyloxypropan-2-yl acetate

CAS: 102-76-1

Chemical structure¹:

 

Flavor Descriptor (Taste): Creamy, oily

Inhalation Hazard Identification: Not Determined²

Inhalation Toxicity:

Not Determined²

Name: 2,3,5-trimethylpyrazine

CAS: 14667-55-1

Chemical structure¹:

 

Flavor Descriptor (Taste): raw, nut skin, vegetable, cocoa, toasted, earthy, chocolate, coffee

Inhalation Hazard Identification: R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 20/21 - When using do not eat, drink or smoke.²

Inhalation Toxicity:

Not Determined²

Name: 4-Hydroxy-3-methoxybenzaldehyde

CAS: 121-33-5

Chemical structure¹:

 

Flavor Descriptor (Taste): Sweet⁶, Vanilla⁶, Marshmallow⁶, Creamy⁶, Coumarin⁶, Caramel⁶, Powdery⁶

Inhalation Hazard Identification: Not Determined²

Inhalation Toxicity:

highly irritating action on the eyes and mucous membranes of the respiratory tract. /Aldehydes/Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 841¹

https://pubchem.ncbi.nlm.nih.gov/compound/Vanillin#section=Hazards-Summary²

1. PubChem (NIH Library of Medicine), https://pubchem.ncbi.nlm.nih.gov/

²The Good Scents Company, http://www.thegoodscentscompany.com/