| { |
| "source": "PubChem SMILES-to-CAS synonym resolution; tier is inherited only when the resolved CAS is already present in perfumer_tier_lookup inputs.", |
| "aliases": { |
| "SMILES:CCc1cc2c(cc1C(C)=O)C(C)(C)CCC2(C)C": { |
| "source_cas": "88-29-9", |
| "pubchem_cid": 6930, |
| "pubchem_name": "Versalide" |
| }, |
| "SMILES:CC(=O)OCC(COC(C)=O)OC(C)=O": { |
| "source_cas": "102-76-1", |
| "pubchem_cid": 5541, |
| "pubchem_name": "triacetin" |
| }, |
| "SMILES:COC(=O)CCC(=O)OC": { |
| "source_cas": "106-65-0", |
| "pubchem_cid": 7820, |
| "pubchem_name": "DIMETHYL SUCCINATE" |
| }, |
| "SMILES:CC(=O)OC(C)(C)C1CCC(C)CC1": { |
| "source_cas": "58985-18-5", |
| "pubchem_cid": 6631, |
| "pubchem_name": "Dihydroterpinyl acetate" |
| }, |
| "SMILES:CC1=CCC2CC1C2(C)C": { |
| "source_cas": "80-56-8", |
| "pubchem_cid": 6654, |
| "pubchem_name": "ALPHA-PINENE" |
| }, |
| "SMILES:COc1ccc(C)cc1": { |
| "source_cas": "104-93-8", |
| "pubchem_cid": 7731, |
| "pubchem_name": "4-Methylanisole" |
| }, |
| "SMILES:C=CCc1ccc(OC(C)=O)c(OC)c1": { |
| "source_cas": "93-28-7", |
| "pubchem_cid": 7136, |
| "pubchem_name": "Eugenol acetate" |
| }, |
| "SMILES:CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC": { |
| "source_cas": "77-90-7", |
| "pubchem_cid": 6505, |
| "pubchem_name": "ACETYL TRIBUTYL CITRATE" |
| }, |
| "SMILES:CCCCCC#CC(=O)OC": { |
| "source_cas": "111-12-6", |
| "pubchem_cid": 8092, |
| "pubchem_name": "Methyl 2-octynoate" |
| }, |
| "SMILES:CC=Cc1ccc(OC)c(OC)c1": { |
| "source_cas": "93-16-3", |
| "pubchem_cid": 7128, |
| "pubchem_name": "Methyl isoeugenol" |
| }, |
| "SMILES:CC(C)C(=O)O": { |
| "source_cas": "79-31-2", |
| "pubchem_cid": 6590, |
| "pubchem_name": "ISOBUTYRIC ACID" |
| }, |
| "SMILES:Cc1cncc(C)n1": { |
| "source_cas": "108-50-9", |
| "pubchem_cid": 7938, |
| "pubchem_name": "2,6-DIMETHYLPYRAZINE" |
| }, |
| "SMILES:C=CC(C)(CCC=C(C)C)OC(=O)C(C)C": { |
| "source_cas": "78-35-3", |
| "pubchem_cid": 6532, |
| "pubchem_name": "Linalyl isobutyrate" |
| }, |
| "SMILES:CC(CC=O)CCCC(C)(C)O": { |
| "source_cas": "107-75-5", |
| "pubchem_cid": 7888, |
| "pubchem_name": "Hydroxycitronellal" |
| }, |
| "SMILES:CC(C)=CCC[C@H](C)CCO": { |
| "source_cas": "7540-51-4", |
| "pubchem_cid": 7793, |
| "pubchem_name": "l-Citronellol" |
| }, |
| "SMILES:CCCCCCC#CC(=O)OC": { |
| "source_cas": "111-80-8", |
| "pubchem_cid": 8137, |
| "pubchem_name": "Methyl 2-nonynoate" |
| }, |
| "SMILES:CC(=O)C(C)=O": { |
| "source_cas": "431-03-8", |
| "pubchem_cid": 650, |
| "pubchem_name": "2,3-butanedione" |
| }, |
| "SMILES:CCCCCCCCCC(=O)O": { |
| "source_cas": "334-48-5", |
| "pubchem_cid": 2969, |
| "pubchem_name": "Decanoic acid" |
| }, |
| "SMILES:CSC": { |
| "source_cas": "75-18-3", |
| "pubchem_cid": 1068, |
| "pubchem_name": "dimethyl sulfide" |
| }, |
| "SMILES:CC(C)(O)C(C)(C)O": { |
| "source_cas": "76-09-5", |
| "pubchem_cid": 6425, |
| "pubchem_name": "PINACOL" |
| }, |
| "SMILES:CCCCCCCOC=O": { |
| "source_cas": "112-23-2", |
| "pubchem_cid": 8169, |
| "pubchem_name": "Heptyl formate" |
| }, |
| "SMILES:CCCCCCCCCCCC(=O)OC": { |
| "source_cas": "111-82-0", |
| "pubchem_cid": 8139, |
| "pubchem_name": "Methyl laurate" |
| }, |
| "SMILES:CC(C)=CCCC(C)CC=O": { |
| "source_cas": "106-23-0", |
| "pubchem_cid": 7794, |
| "pubchem_name": "CITRONELLAL" |
| }, |
| "SMILES:CC(=O)c1ccccc1": { |
| "source_cas": "98-86-2", |
| "pubchem_cid": 7410, |
| "pubchem_name": "ACETOPHENONE" |
| }, |
| "SMILES:CCCCCCCCCC(C)=O": { |
| "source_cas": "112-12-9", |
| "pubchem_cid": 8163, |
| "pubchem_name": "2-Undecanone" |
| }, |
| "SMILES:CC(=O)c1ccc(C)cc1C": { |
| "source_cas": "89-74-7", |
| "pubchem_cid": 6985, |
| "pubchem_name": "2,4-Dimethylacetophenone" |
| }, |
| "SMILES:CC(=O)c1ccc(Cl)cc1": { |
| "source_cas": "99-91-2", |
| "pubchem_cid": 7467, |
| "pubchem_name": "4'-Chloroacetophenone" |
| }, |
| "SMILES:COC(=O)Cc1ccccc1": { |
| "source_cas": "101-41-7", |
| "pubchem_cid": 7559, |
| "pubchem_name": "METHYL PHENYLACETATE" |
| } |
| } |
| } |
|
|
