Dave's Molecular Models
Flavours Aromas

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File revised: Thu, Mar 27, 2014 .

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The following molecular models are part of Dave's molecular models database.

Note: The model presentation uses the Jmol applet requiring Java to be installed on your computer.


Model files copyright 1994-2004, 2005

The models may be used for educational or personal purposes, but may not be copied for publishing use without permission of the author.


FormulaMolar
Mass
Name (click for model)Comments
C2H4S5188.36LenthionineIn edible shiitake mushrooms"
C4H5Cl88.541-Chloro-2-butyne"
C4H5NO4S163.16Acesulfane"
C5H10O86.153-MethylbutanalOccurs in orange, lemon and other oils, and is used as an artificial flavour."
C5H10O2102.15Methyl butanoateapple aroma"
C5H10O2102.15Propyl ethanoatepear aroma"
C5H10O2102.15Isopropyl ethanoatesolvent for plastics and fats, and used in perfumery.
Safety data."
C6H10O98.16(E)-Hex-2-enalFound along with hex-3-en-1-ol in cut grass."
C6H12O100.18(Z)-Hex-3-en-1-olLeaf alcohol - present in leaves of odiferous plants - part of the odour of cut grass."
C6H12O2116.183-methylbut-1-yl methanoateFruity odour"
C6H12O3S164.24CyclamateSweetener (30 x as sweet as sucrose), used in Canada but not in the US.
Information"
C7H5NO3S183.19Saccharin500 times as sweet as sugar; bitter after-taste
Used in US but not used in foods in Canada, saccharin has now been dropped from the US list of cancer-causing chemicals>"
C7H6O106.13Benzaldehydefrom bitter almonds, used in perfumery and as a flavour"
C7H6O2122.132-HydroxybenzaldehydeSalicylaldehyde. Used in perfumery"
C7H8O108.15Anisoleperfumery"
C7H12O2128.19Isopent-1-en-1-yl ethanoate'juicy fruit' aroma"
C7H14O2130.213-Methylbut-1-yl ethanoatebanana or pear aroma"
C7H14O2130.212-Methylprop-1-yl propanoaterum aroma"
C8H6O3150.14PiperonalUsed in cherry and vanilla flavours, and in perfumery."
C8H8O120.16Acetophenoneimparts orange-blossom-like odour in perfumery"
C8H8O2136.16Methyl benzoateused in perfumery"
C8H8O3152.16Vanillinflavouring agent : vanilla"
C8H8O3152.16Methyl salicylateIn oil of wintergreen."
C8H10NO2152.19Methyl anthranilategrape aroma"
C8H16O2144.24Ethyl hexanoateartificial fruit flavour"
C9H6O2146.15CoumarinFound in tonka beans, lavender oil and sweet clover"
C9H10O2150.19Benzylyl ethanoatepeach aroma"
C9H10O2150.19Ethyl benzoate'Essence de Niobe in perfumery, artificial fruit flavour"
C9H14122.23Santenecomponent of East Indian sandalwood oil"
C9H18O2158.273-Methylbut-1-yl butanoatepear-like odour."
C10H12O2164.22Ethyl phenylethanoatehoney aroma"
C10H12O2164.22EugenolUsed in perfumery and as an insect attractant! Also as an analgesic in dentistry."
C10H12O2164.22IsoeugenolOccurs in ylang-ylang and other essential oils; used in the manufacture of vanillin"
C10H14O150.24(-)-(R)-Carvonefrom spearmint oil"
C10H14O150.24(+)-(S)-Carvonefrom caraway seed"
C10H16136.267-Methyl-3-methyleneocta-1,6-diene
myrcene
Present in oil of bay, oil of verbena, bayberry wax, hops, and elsewhere"
C10H16136.26alpha-PineneOil of turpentine contains about 60% alpha-pinene and about 30% beta-pinene.
Used in the manufacture of camphor, insecticides, solvents, perfume bases"
C10H16136.26beta-PinenePresent to about 30% in oil of terpentine, occurs with alpha-pinene"
C10H16136.26alpha-TerpineneOdour of lemons; from cardomom and majoram oils."
C10H16O152.26Geranial, Citral astrong lemon odour"
C10H16O152.26Neral, Citral blemon odour, sweeter than geranial"
C10H16O152.26(S)-Piperitoned-form has a peppermint odour; l-form is found in sitka spruce oil."
C10H18O154.28Citronellalused as soap perfume and insect repellent"
C10H18O154.28GeraniolFrom Turkish geranium oil, diasteriomer of nerol (qv)"
C10H18O154.28Nerolwidely occuring monoterpene, diastereoisomer of geraniol (qv)
odour of sweet rose"
C10H18O154.28(R)-LinaloolOdour resembling bergamot and lavender which it replaces in perfumery; from lanaloe oil."
C10H18O154.28l-MenthoneFound in volatile oils of pennyroyal, peppermint and geranium and used in perfumary and flavouring."
C10H20O156.3Mentholfrom peppermint oil"
C10H20O2172.3Octyl ethanoateorange aroma"
C10H20O2172.3(S)-7-Hydroxy-3,7-dimethyloctanalLily-of-the-valley.
The R enantiomer has different odour"
C10H20O2172.3(R)-7-Hydroxy-3,7-dimethyloctanalMint.
The S enantiomer has different odour."
C11H16O164.27Jasmoneperfume, from oil of jasmine"
C11H18O2182.29Nerol formateAlarm pheromone of the cheese mite Tyrophagus putrescentiae
Used in perfumery, which led Thomas and Bessiere (in Total Synthesis of Natural Products, Vol. 4, p459) to wonder 'what the effect of a perfumed hand over a dish of doubtful cheese would be!'"
C12H22O11342.34Sucrose, Sugarcane sugar, beet sugar"
C13H20O192.334-(5-Isopropenyl-2-methylcyclopent-1-enyl)-2-butanoneUsed in perfumery - citrus-like with woody background odour.S enantiomer shown"
C14H18N2O5294.34AspartameNutrasweet, a synthetic, non-nutrative sweetener"
C14H22O206.36(+)-cis-alpha-IroneFragrant principle of violets, though best isolated from iris or orris oil. Natural product is a mixture of alpha, beta and gamma forms. Used in perfumery."
C14H22O206.36(+)-trans-alpha-IroneFragrant principle of violets, though best isolated from iris or orris oil. Natural product is a mixture of alpha, beta and gamma forms. Used in perfumery."
C14H22O206.36(+)-beta-IroneFragrant principle of violets, though best isolated from iris or orris oil. Natural product is a mixture of alpha, beta and gamma forms. Used in perfumery."
C14H22O206.36(+)-cis-gamma-IroneFragrant principle of violets, though best isolated from iris or orris oil. Natural product is a mixture of alpha, beta and gamma forms. Used in perfumery."
C15H22O218.37beta-VetivoneIsolated from vetiver oil (roots of Vetiveria zizanioides. Mixed with alpha-vetivone."
C15H24204.39CaryophylleneOccurs in oil of clove and many essential oils"
C15H24O220.39alpha-SantalolSesquiterpene alcohol from sandalwood oil."
C15H24O220.39beta-SantalolFrom sandalwood oil."
C15H26O222.41FarnesolFound in many oils such as citronella, lemon grass, rose, and musk. Used in perfumery to emphasize sweet floral odours."
C16H30O238.46(R)-3-MethylcyclopentadecanoneMuscone. Odorous principle of musk. Used in perfumery"
C17H30O250.47(Z)-Cycloheptadec-9-enoneMusky odour, used in perfumery."
C18H27NO3305.46CapsaicinIsolated from paprika and cayenne. Burning taste, can be detected to the dilution of 1 part in 100 000!"
Number of entries in table : 68

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This page last modified on: Thu, Mar 27, 2014 .