Citroside A

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  • Identifiers

    CAS number
    120330-44-1

    Molecular formula
    C19H30O8

    SMILES
    CC(=O)C=C=C1[C@](C[C@H](CC1(C)C)O)(C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 45.72%
    Odorless 44.21%
    Woody 30.09%
    Mint 23.81%
    Creamy 23.52%
    Vanilla 23.43%
    Floral 20.03%
    Milky 19.87%
    Spicy 19.4%
    Dry 19.22%

     

    Flavor
    Bitter 71.1%
    Odorless 24.18%
    Sweet-like 22.05%
    Cedarleaf 20.27%
    Fruity 20.1%
    Leaves 19.99%
    Minty 19.75%
    Cotton candy 19.62%
    Ripe apricot 19.55%
    Extremely sweet 19.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.6

    pKa est.
    4.91 (weak acid)

    Molecular weight
    386.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1764°C

    Flash point

    • 220.12 ˚C est.

  • Synonyms

    • Citroside A
    • 120330-44-1
    • DTXSID701318300
    • RefChem:918734
    • DTXCID401748112
    • Citroside B
    • 3-Buten-2-one, 4-[(2R,4S)-2-(beta-D-glucopyranosyloxy)-4-hydroxy-2,6,6-trimethylcyclohexylidene]-, (3R)-
    • (1R,5S)-5-Hydroxy-1,3,3-trimethyl-2-(3-oxobut-1-en-1-ylidene)cyclohexyl beta-D-glucopyranoside
    • orb1682930
    • CHEMBL1814429
    • SCHEMBL29353731
    • CHEBI:69850
    • HY-N9046
    • AKOS040761513
    • DA-62353
    • CS-0149597
    • Q27138189
    • 3-Buten-2-one, 4-[(2R,4S)-2-(|A-D-glucopyranosyloxy)-4-hydroxy-2,6,6-trimethylcyclohexylidene]-, (3R)-
    • 4-[(4S,6R)-4-hydroxy-2,2,6-trimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexylidene]but-3-en-2-one
    • 120330-44-1

  • Applications

    Citroside A (CAS 120330-44-1) is a citrus-derived compound typically considered as a fragrance component and potential citrus aroma precursor and may serve as an intermediate for the synthesis of citrus aroma compounds. It is used in cosmetics and personal care formulations as a fragrance ingredient, and in flavor systems as a citrus flavor intermediate, while in household products it can impart a citrus note in cleaners and air fresheners. In industrial manufacturing, Citroside A functions as a chemical intermediate for the preparation of citrus-related aroma compounds and derivatives. It is studied for potential use in coatings and inks as a citrus-scent additive, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.38
    methanol 146.48
    isopropanol 2.44
    water 27.37
    ethyl acetate 2.08
    n-propanol 8.02
    acetone 3.95
    n-butanol 3.25
    acetonitrile 2.29
    DMF 95.14
    toluene 1.18
    isobutanol 2.71
    1,4-dioxane 7.2
    methyl acetate 2.4
    THF 17.38
    2-butanone 3.02
    n-pentanol 2.95
    sec-butanol 2.02
    n-hexane 0.16
    ethylene glycol 63.27
    NMP 183.19
    cyclohexane 0.24
    DMSO 217.05
    n-butyl acetate 1.78
    n-octanol 1.79
    chloroform 2.1
    n-propyl acetate 1.81
    acetic acid 120.73
    dichloromethane 3.37
    cyclohexanone 9.56
    propylene glycol 44.04
    isopropyl acetate 1.37
    DMAc 78.04
    2-ethoxyethanol 31.43
    isopentanol 1.82
    n-heptane 0.26
    ethyl formate 4.08
    1,2-dichloroethane 2.34
    n-hexanol 3.05
    2-methoxyethanol 84.72
    isobutyl acetate 1.24
    tetrachloromethane 0.44
    n-pentyl acetate 2.05
    transcutol 50.57
    n-heptanol 2.96
    ethylbenzene 0.7
    MIBK 2.1
    2-propoxyethanol 31.89
    tert-butanol 1.63
    MTBE 0.57
    2-butoxyethanol 17.14
    propionic acid 15.19
    o-xylene 1.11
    formic acid 481.99
    diethyl ether 1.45
    m-xylene 1.2
    p-xylene 0.75
    chlorobenzene 0.8
    dimethyl carbonate 8.12
    n-octane 0.11
    formamide 263.45
    cyclopentanone 17.82
    2-pentanone 2.78
    anisole 1.92
    cyclopentyl methyl ether 6.17
    gamma-butyrolactone 36.27
    1-methoxy-2-propanol 34.93
    pyridine 6.7
    3-pentanone 2.71
    furfural 31.71
    n-dodecane 0.05
    diethylene glycol 65.89
    diisopropyl ether 0.37
    tert-amyl alcohol 1.73
    acetylacetone 6.99
    n-hexadecane 0.06
    acetophenone 4.92
    methyl propionate 6.03
    isopentyl acetate 1.65
    trichloroethylene 4.86
    n-nonanol 1.73
    cyclohexanol 3.3
    benzyl alcohol 5.47
    2-ethylhexanol 1.46
    isooctanol 2.09
    dipropyl ether 1.94
    1,2-dichlorobenzene 1.08
    ethyl lactate 7.38
    propylene carbonate 11.1
    n-methylformamide 72.42
    2-pentanol 1.23
    n-pentane 0.17
    1-propoxy-2-propanol 13.38
    1-methoxy-2-propyl acetate 7.97
    2-(2-methoxypropoxy) propanol 14.96
    mesitylene 0.72
    ε-caprolactone 12.56
    p-cymene 0.77
    epichlorohydrin 17.99
    1,1,1-trichloroethane 0.59
    2-aminoethanol 68.18
    morpholine-4-carbaldehyde 91.54
    sulfolane 111.5
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 4.87
    n-hexyl acetate 2.64
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 20.86
    sec-butyl acetate 1.0
    tert-butyl acetate 1.92
    decalin 0.14
    glycerin 139.56
    diglyme 30.51
    acrylic acid 33.0
    isopropyl myristate 0.74
    n-butyric acid 8.26
    acetyl acetate 2.33
    di(2-ethylhexyl) phthalate 2.84
    ethyl propionate 2.07
    nitromethane 57.34
    1,2-diethoxyethane 3.22
    benzonitrile 2.07
    trioctyl phosphate 1.91
    1-bromopropane 0.8
    gamma-valerolactone 57.86
    n-decanol 1.08
    triethyl phosphate 2.37
    4-methyl-2-pentanol 0.92
    propionitrile 1.47
    vinylene carbonate 12.47
    1,1,2-trichlorotrifluoroethane 56.34
    DMS 4.15
    cumene 0.54
    2-octanol 1.17
    2-hexanone 1.93
    octyl acetate 1.41
    limonene 1.09
    1,2-dimethoxyethane 15.94
    ethyl orthosilicate 2.03
    tributyl phosphate 1.67
    diacetone alcohol 9.58
    N,N-dimethylaniline 2.79
    acrylonitrile 4.09
    aniline 2.81
    1,3-propanediol 30.58
    bromobenzene 0.58
    dibromomethane 1.63
    1,1,2,2-tetrachloroethane 3.72
    2-methyl-cyclohexyl acetate 2.87
    tetrabutyl urea 3.38
    diisobutyl methanol 0.87
    2-phenylethanol 4.88
    styrene 0.65
    dioctyl adipate 2.26
    dimethyl sulfate 25.82
    ethyl butyrate 1.98
    methyl lactate 24.05
    butyl lactate 6.26
    diethyl carbonate 1.35
    propanediol butyl ether 20.43
    triethyl orthoformate 2.21
    p-tert-butyltoluene 0.78
    methyl 4-tert-butylbenzoate 9.1
    morpholine 15.72
    tert-butylamine 0.55
    n-dodecanol 0.67
    dimethoxymethane 30.62
    ethylene carbonate 7.16
    cyrene 38.71
    2-ethoxyethyl acetate 5.04
    2-ethylhexyl acetate 1.33
    1,2,4-trichlorobenzene 1.77
    4-methylpyridine 4.03
    dibutyl ether 0.76
    2,6-dimethyl-4-heptanol 0.87
    DEF 10.18
    dimethyl isosorbide 29.08
    tetrachloroethylene 3.61
    eugenol 11.73
    triacetin 7.32
    span 80 13.65
    1,4-butanediol 13.35
    1,1-dichloroethane 0.6
    2-methyl-1-pentanol 1.91
    methyl formate 39.94
    2-methyl-1-butanol 2.34
    n-decane 0.12
    butyronitrile 1.12
    3,7-dimethyl-1-octanol 1.29
    1-chlorooctane 0.45
    1-chlorotetradecane 0.14
    n-nonane 0.11
    undecane 0.07
    tert-butylcyclohexane 0.1
    cyclooctane 0.14
    cyclopentanol 5.3
    tetrahydropyran 3.29
    tert-amyl methyl ether 1.08
    2,5,8-trioxanonane 22.7
    1-hexene 0.44
    2-isopropoxyethanol 11.07
    2,2,2-trifluoroethanol 37.82
    methyl butyrate 2.77

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction