Chloroatranorin

  • Identifiers

    CAS number
    479-16-3

    Molecular formula
    C19H17ClO8

    SMILES
    CC1=CC(=C(C(=C1C(=O)OC)O)C)OC(=O)C2=C(C(=C(C(=C2O)C=O)O)Cl)C

  • Odor profile

    odorless 46.29%
    phenolic 42.63%
    sweet 31.83%
    woody 31.34%
    dry 28.55%
    balsamic 25.15%
    spicy 25.0%
    fruity 24.23%
    burnt 24.23%
    powdery 23.8%

    Scent© AI

  • Properties

    XLogP3-AA
    5.0 Well soluble in BB, IPM, DOA

    Molecular weight
    408.8 g/mol

  • Synonyms

    • Chloratranorin
    • Chloroatranorin
    • 479-16-3
    • Benzoic acid, 3-chloro-5-formyl-4,6-dihydroxy-2-methyl-, 3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl ester
    • UNII-433PEB1G7C
    • 433PEB1G7C
    • 5-CHLOROATRANORIN
    • (3-hydroxy-4-methoxycarbonyl-2,5-dimethylphenyl) 5-chloro-3-formyl-2,4-dihydroxy-6-methylbenzoate
    • DTXSID50197318
    • 4-[(3-Chloro-5-formyl-4,6-dihydroxy-2-methylbenzoyl)oxy]-2-hydroxy-3,6-dimethylbenzoic acid methyl ester
    • Isophthalaldehydic acid, 5-chloro-2,4-dihydroxy-6-methyl-, 4-ester with methyl 3,6-dimethyl-.beta.-resorcylate
    • .BETA.-RESORCYLIC ACID, 3,6-DIMETHYL-, METHYL ESTER, 4-(5-CHLORO-2,4-DIHYDROXY-6-METHYLISOPHTHALALDEHYDATE)
    • .beta.-Resorcylic acid, 3,6-dimethyl-,methyl ester, 4-(5-chloro-2,4-dihydroxy-6-methylisophthalaldehydate)
    • Spectrum5_002072
    • SCHEMBL21369176
    • DTXCID60119809
    • CHEBI:144138
    • AAA47916
    • NS00134223
    • Q27258607
    • 3-Hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3-chloro-5-formyl-4,6-dihydroxy-2-methylbenzoate
    • 3-Hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3-chloro-5-formyl-4,6-dihydroxy-2-methylbenzoate #
    • 3-Hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3-chloro-5-formyl-4,6-dihydroxy-2-methylbenzoic acid
    • BETA-RESORCYLIC ACID, 3,6-DIMETHYL-, METHYL ESTER, 4-(5-CHLORO-2,4-DIHYDROXY-6-METHYLISOPHTHALALDEHYDATE)
    • beta-Resorcylic acid, 3,6-dimethyl-,methyl ester, 4-(5-chloro-2,4-dihydroxy-6-methylisophthalaldehydate)
    • Isophthalaldehydic acid, 5-chloro-2,4-dihydroxy-6-methyl-, 4-ester with methyl 3,6-dimethyl-beta-resorcylate
1 4

Botanical

Name CAS Botanical Proportion
Oakmoss absolute (Morocco) 9000-50-4 Evernia prunastri (L.) Ach., fam. Usneaceae 0.01%
Oakmoss (Yugoslavia) 1 9000-50-4 Evernia prunastri (L.) Ach., fam. Usneaceae 0.7%
Oakmoss (Yugoslavia) 2 9000-50-4 Evernia prunastri (L.) Ach., fam. Usneaceae 0.1%
Treemoss concrete 9000-50-4 Evernia ssp., fam. Usneaceae 0.3%