Details of the Drug Excipient
General Information of Drug Inactive Ingredient (DIG) (ID: E00595)
| DIG Name |
Cis-vanillin 2,3-butanediol acetal
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| Synonyms |
UNII-S78Z7NJ6E3; Vanillin 2,3-butanediol acetal, cis-; S78Z7NJ6E3; cis-vanillin 2,3-butanediol acetal; 316811-68-4; Vanillin butan-2,3-diol acetal, cis-; Vanillin butane-2,3-diol acetal, cis-; Vanillin erythro-butan-2,3-diol acetal; FEMA No. 4023, (4R,5S)-; DTXSID00185568; 4-((4S,5R)-4,5-Dimethyl-1,3-dioxolan-2-yl)-2-methoxy-phenol; (+-)-4-((4S,5R)-4,5-Dimethyl-1,3-dioxolan-2-yl)-2-methoxy-phenol; Phenol, 4-((4R,5S)-4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxy-, rel-; Phenol, 4-((2alpha,4alpha,5alpha)-4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxy-; Q27288767; UNII-4KH462EVTJ component JZJHVHUFPUYAJF-ITGSWZIZSA-N
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| DIG Function |
Flavoring agent
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| Formula |
C12H16O4
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| Canonical SMILES |
C[C@@H]1[C@@H](OC(O1)C2=CC(=C(C=C2)O)OC)C
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| InChI |
1S/C12H16O4/c1-7-8(2)16-12(15-7)9-4-5-10(13)11(6-9)14-3/h4-8,12-13H,1-3H3/t7-,8+,12?
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| InChIKey |
JZJHVHUFPUYAJF-ITGSWZIZSA-N
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| Physicochemical Properties | Molecular Weight | 224.25 | Topological Polar Surface Area | 47.9 | |
| XlogP | 1.8 | Complexity | 223 | ||
| Heavy Atom Count | 16 | Rotatable Bond Count | 2 | ||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 4 | ||