Scents and Fragrances

[ANUGAMAGE]

@Primali99 Add scents and fragrances by following this article and it's citations.
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9163252/#CR18

[Primali99]

'ethanol' : 'CCO'
'acetaldehyde' : 'CC=O'
'alpha pinene' : 'CC1=CCC2CC1C2(C)C'
'acetone' : 'CC(=O)C'
'limonene' : 'CC1=CCC(CC1)C(=C)C'
'beta pinene' : 'CC1(C2CCC(=C)C1C2)C'
'dimethyl octanol' : 'CC(C)CCCC(C)CCO'
'eucalyptol' : 'CC1(C2CCC(O1)(CC2)C)C'
'decanal' : 'CCCCCCCCCC=O'
'dimethyl heptenal' : 'CC(CCC=C(C)C)C=O'
'methoxy benzaldehyde' : 'COC1=C(C=CC(=C1)C=O)O'
'benzylacetone' : 'CC(=O)CCC1=CC=CC=C1'
'diethyl phthalate' : 'CCOC(=O)C1=CC=CC=C1C(=O)OCC'
'di-n-butyl phthalate' : 'CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC'
'di(2-ethylhexyl) phthalate' : 'CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC'
'butylbenzyl phthalate' : 'CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2'
'eugenol' : 'COC1=C(C=CC(=C1)CC=C)O'
'beraniol' : 'CC(=CCC/C(=C/CO)/C)C'
'hydroxycitronellal' : 'CC(CCCC(C)(C)O)CC=O'
'di-isobutyl phthalate' : 'CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C'
'hexyl cinnamal' : 'CCCCCC/C(=C\C1=CC=CC=C1)/C=O'
'linalool' : 'CC(=CCCC(C)(C=C)O)C'
'triclosan' : 'C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl'
'α-farnesene' : '[H]C(C([H])C(\C)=C(/[H])C([H])C([H])=C(\C)C([H])=C)C([H])=C(C)C'
'cis-3-hexenol' : 'CC/C=C\CCO'
'citral' : 'CC(=CCC/C(=C/C=O)/C)C'
'2,6-nonadienal' : 'CCC=CCCC=CC=O'
'dibutyl phthalate' : 'CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC'
'dimethyl phthalate' : 'COC(=O)C1=CC=CC=C1C(=O)OC'
'monoethyl phthalate' : '[2H]C1=C(C(=C(C(=C1[2H])C(=O)O)C(=O)OC([2H])([2H])C([2H])([2H])[2H])[2H])[2H]'
'methylbenzylpiperazine' : 'CN1CCN(CC1)CC2=CC=CC=C2'
'cis-3-hexenyl salicylate' : 'CC/C=C\CCOC(=O)C1=CC=CC=C1O'
'methyl salicylate' : 'COC(=O)C1=CC=CC=C1O'
'γ-undecalactone' : 'CCCCCCCC1CCC(=O)O1'
'β-ionone' : '[H]\C(=C([H])C1=C(C)CCCC1(C)C)C(C)=O'
'cyclohexanone' : 'C1CCC(=O)CC1'
'linalyl acetate' : 'CC(=CCCC(C)(C=C)OC(=O)C)C'
'trans-2-hexenyl salicylate' : 'CCC/C=C/COC(=O)C1=CC=CC=C1O'
'methyl-2-butenyl salicylate' : 'CC(=CCOC(=O)C1=CC=CC=C1O)C'
'monoethylhexyl phthalic acid' : 'CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O'
'4-methyl salicylate' : 'CC1=CC(=C(C=C1)C(=O)O)O'
'phenethyl salicylate' : 'C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2O'
'p-cresyl salicylate' : 'CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O'
'phenyl salicylate' : 'C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O'
'benzyl salicylate' : 'C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O'

[ANUGAMAGE]

@Primali99 Cool!. Is there any way to categorize the chemicals in to sub categorize? Like Scents and fragrances refer to a broad category of substances used to impart pleasant or distinctive smells. These are widely used in personal care products, perfumes, household items, and even in industries like food and beverages for flavor enhancement.
And how to categorize these chemicals in to our knowledge graph?

[Primali99]

Fragrances
'alpha pinene' : 'CC1=CCC2CC1C2(C)C'
'beta pinene' : 'CC1(C2CCC(=C)C1C2)C'
'limonene' : 'CC1=CCC(CC1)C(=C)C'
'eugenol' : 'COC1=C(C=CC(=C1)CC=C)O'
'beraniol' : 'CC(=CCC/C(=C/CO)/C)C'
'linalool' : 'CC(=CCCC(C)(C=C)O)C'
'citral' : 'CC(=CCC/C(=C/C=O)/C)C'
'hexyl cinnamal' : 'CCCCCC/C(=C\C1=CC=CC=C1)/C=O'
'hydroxycitronellal' : 'CC(CCCC(C)(C)O)CC=O'
'methoxy benzaldehyde' : 'COC1=C(C=CC(=C1)C=O)O'
'decanal' : 'CCCCCCCCCC=O'
'cis-3-hexenol' : 'CC/C=C\CCO'
'benzylacetone' : 'CC(=O)CCC1=CC=CC=C1'
'γ-undecalactone' : 'CCCCCCCC1CCC(=O)O1'
'β-ionone' : '[H]\C(=C([H])C1=C(C)CCCC1(C)C)C(C)=O'
'cyclohexanone' : 'C1CCC(=O)CC1'
'linalyl acetate' : 'CC(=CCCC(C)(C=C)OC(=O)C)C'
'methyl salicylate' : 'COC(=O)C1=CC=CC=C1O'
'trans-2-hexenyl salicylate' : 'CCC/C=C/COC(=O)C1=CC=CC=C1O'
'methyl-2-butenyl salicylate' : 'CC(=CCOC(=O)C1=CC=CC=C1O)C'
'phenethyl salicylate' : 'C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2O'
'p-cresyl salicylate' : 'CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O'
'phenyl salicylate' : 'C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O'
'benzyl salicylate' : 'C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O'

Solvents
'ethanol' : 'CCO'
'acetone' : 'CC(=O)C'
'diethyl phthalate (dep)' : 'CCOC(=O)C1=CC=CC=C1C(=O)OCC'
'dimethyl phthalate (dmp)' : 'COC(=O)C1=CC=CC=C1C(=O)OC'
'di-isobutyl phthalate (dibp)' : 'CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C'
'di(2-ethylhexyl) phthalate (dehp)' : 'CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC'
'dibutyl phthalate (dbp)' : 'CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC'

Fixatives
'diethyl phthalate (dep)' : 'CCOC(=O)C1=CC=CC=C1C(=O)OCC'
'dibutyl phthalate (dbp)' : 'CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC'
'di(2-ethylhexyl) phthalate (dehp)' : 'CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC'

Preservatives
'ethanol' : 'CCO'

[ANUGAMAGE]

@Primali99 Nice send a PR. Lets figure this out further.