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The following molecular models are part of Dave's molecular models database.
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The models may be used for educational or personal purposes, but may not be copied for publishing use without permission of the author.
| Formula | Molar Mass | Name (click for model) | Comments |
|---|---|---|---|
| C2H4S5 | 188.36 | Lenthionine | In edible shiitake mushrooms" |
| C4H5Cl | 88.54 | 1-Chloro-2-butyne | " |
| C4H5NO4S | 163.16 | Acesulfane | " |
| C5H10O | 86.15 | 3-Methylbutanal | Occurs in orange, lemon and other oils, and is used as an artificial flavour." |
| C5H10O2 | 102.15 | Methyl butanoate | apple aroma" |
| C5H10O2 | 102.15 | Propyl ethanoate | pear aroma" |
| C5H10O2 | 102.15 | Isopropyl ethanoate | solvent for plastics and fats, and used in perfumery. Safety data." |
| C6H10O | 98.16 | (E)-Hex-2-enal | Found along with hex-3-en-1-ol in cut grass." |
| C6H12O | 100.18 | (Z)-Hex-3-en-1-ol | Leaf alcohol - present in leaves of odiferous plants - part of the odour of cut grass." |
| C6H12O2 | 116.18 | 3-methylbut-1-yl methanoate | Fruity odour" |
| C6H12O3S | 164.24 | Cyclamate | Sweetener (30 x as sweet as sucrose), used in Canada but not in the US. Information" |
| C7H5NO3S | 183.19 | Saccharin | 500 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>" |
| C7H6O | 106.13 | Benzaldehyde | from bitter almonds, used in perfumery and as a flavour" |
| C7H6O2 | 122.13 | 2-Hydroxybenzaldehyde | Salicylaldehyde. Used in perfumery" |
| C7H8O | 108.15 | Anisole | perfumery" |
| C7H12O2 | 128.19 | Isopent-1-en-1-yl ethanoate | 'juicy fruit' aroma" |
| C7H14O2 | 130.21 | 3-Methylbut-1-yl ethanoate | banana or pear aroma" |
| C7H14O2 | 130.21 | 2-Methylprop-1-yl propanoate | rum aroma" |
| C8H6O3 | 150.14 | Piperonal | Used in cherry and vanilla flavours, and in perfumery." |
| C8H8O | 120.16 | Acetophenone | imparts orange-blossom-like odour in perfumery" |
| C8H8O2 | 136.16 | Methyl benzoate | used in perfumery" |
| C8H8O3 | 152.16 | Vanillin | flavouring agent : vanilla" |
| C8H8O3 | 152.16 | Methyl salicylate | In oil of wintergreen." |
| C8H10NO2 | 152.19 | Methyl anthranilate | grape aroma" |
| C8H16O2 | 144.24 | Ethyl hexanoate | artificial fruit flavour" |
| C9H6O2 | 146.15 | Coumarin | Found in tonka beans, lavender oil and sweet clover" |
| C9H10O2 | 150.19 | Benzylyl ethanoate | peach aroma" |
| C9H10O2 | 150.19 | Ethyl benzoate | 'Essence de Niobe in perfumery, artificial fruit flavour" |
| C9H14 | 122.23 | Santene | component of East Indian sandalwood oil" |
| C9H18O2 | 158.27 | 3-Methylbut-1-yl butanoate | pear-like odour." |
| C10H12O2 | 164.22 | Ethyl phenylethanoate | honey aroma" |
| C10H12O2 | 164.22 | Eugenol | Used in perfumery and as an insect attractant! Also as an analgesic in dentistry." |
| C10H12O2 | 164.22 | Isoeugenol | Occurs in ylang-ylang and other essential oils; used in the manufacture of vanillin" |
| C10H14O | 150.24 | (-)-(R)-Carvone | from spearmint oil" |
| C10H14O | 150.24 | (+)-(S)-Carvone | from caraway seed" |
| C10H16 | 136.26 | 7-Methyl-3-methyleneocta-1,6-diene myrcene | Present in oil of bay, oil of verbena, bayberry wax, hops, and elsewhere" |
| C10H16 | 136.26 | alpha-Pinene | Oil of turpentine contains about 60% alpha-pinene and about 30% beta-pinene. Used in the manufacture of camphor, insecticides, solvents, perfume bases" |
| C10H16 | 136.26 | beta-Pinene | Present to about 30% in oil of terpentine, occurs with alpha-pinene" |
| C10H16 | 136.26 | alpha-Terpinene | Odour of lemons; from cardomom and majoram oils." |
| C10H16O | 152.26 | Geranial, Citral a | strong lemon odour" |
| C10H16O | 152.26 | Neral, Citral b | lemon odour, sweeter than geranial" |
| C10H16O | 152.26 | (S)-Piperitone | d-form has a peppermint odour; l-form is found in sitka spruce oil." |
| C10H18O | 154.28 | Citronellal | used as soap perfume and insect repellent" |
| C10H18O | 154.28 | Geraniol | From Turkish geranium oil, diasteriomer of nerol (qv)" |
| C10H18O | 154.28 | Nerol | widely occuring monoterpene, diastereoisomer of geraniol (qv) odour of sweet rose" |
| C10H18O | 154.28 | (R)-Linalool | Odour resembling bergamot and lavender which it replaces in perfumery; from lanaloe oil." |
| C10H18O | 154.28 | l-Menthone | Found in volatile oils of pennyroyal, peppermint and geranium and used in perfumary and flavouring." |
| C10H20O | 156.3 | Menthol | from peppermint oil" |
| C10H20O2 | 172.3 | Octyl ethanoate | orange aroma" |
| C10H20O2 | 172.3 | (S)-7-Hydroxy-3,7-dimethyloctanal | Lily-of-the-valley. The R enantiomer has different odour" |
| C10H20O2 | 172.3 | (R)-7-Hydroxy-3,7-dimethyloctanal | Mint. The S enantiomer has different odour." |
| C11H16O | 164.27 | Jasmone | perfume, from oil of jasmine" |
| C11H18O2 | 182.29 | Nerol formate | Alarm 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!'" |
| C12H22O11 | 342.34 | Sucrose, Sugar | cane sugar, beet sugar" |
| C13H20O | 192.33 | 4-(5-Isopropenyl-2-methylcyclopent-1-enyl)-2-butanone | Used in perfumery - citrus-like with woody background odour.S enantiomer shown" |
| C14H18N2O5 | 294.34 | Aspartame | Nutrasweet, a synthetic, non-nutrative sweetener" |
| C14H22O | 206.36 | (+)-cis-alpha-Irone | Fragrant 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." |
| C14H22O | 206.36 | (+)-trans-alpha-Irone | Fragrant 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." |
| C14H22O | 206.36 | (+)-beta-Irone | Fragrant 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." |
| C14H22O | 206.36 | (+)-cis-gamma-Irone | Fragrant 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." |
| C15H22O | 218.37 | beta-Vetivone | Isolated from vetiver oil (roots of Vetiveria zizanioides. Mixed with alpha-vetivone." |
| C15H24 | 204.39 | Caryophyllene | Occurs in oil of clove and many essential oils" |
| C15H24O | 220.39 | alpha-Santalol | Sesquiterpene alcohol from sandalwood oil." |
| C15H24O | 220.39 | beta-Santalol | From sandalwood oil." |
| C15H26O | 222.41 | Farnesol | Found in many oils such as citronella, lemon grass, rose, and musk. Used in perfumery to emphasize sweet floral odours." |
| C16H30O | 238.46 | (R)-3-Methylcyclopentadecanone | Muscone. Odorous principle of musk. Used in perfumery" |
| C17H30O | 250.47 | (Z)-Cycloheptadec-9-enone | Musky odour, used in perfumery." |
| C18H27NO3 | 305.46 | Capsaicin | Isolated from paprika and cayenne. Burning taste, can be detected to the dilution of 1 part in 100 000!" |
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