Viridiflorine

  • Identifiers

    CAS number
    551-57-5

    Molecular formula
    C15H27NO4

    SMILES
    C[C@@H]([C@@](C(C)C)(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 59.5%
    Cooling 30.53%
    Milky 22.67%
    Mint 21.79%
    Buttery 21.53%
    Nutty 20.79%
    Sweet 20.04%
    Savory 19.25%
    Alcoholic 17.32%
    Lactonic 15.58%

     

    Flavor
    Bitter 67.14%
    Odorless 36.77%
    Bland 28.81%
    Sweet-like 25.3%
    Fruity 22.94%
    Mild 21.56%
    Very mild 19.67%
    Cedarleaf 19.39%
    Heather 18.53%
    Alkaline 18.5%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.37 (weak base)

    Molecular weight
    285.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    397°C

    Flash point

    • 189.4 ˚C est.

  • Synonyms

    • Viridiflorine
    • UNII-4F0407YP2J
    • 4F0407YP2J
    • 551-57-5
    • (Hexahydro-1H-pyrrolizin-1-yl)methyl 2,3-dihydroxy-2-(1-methylethyl)butanoate (1R-(1alpha-(2S*,3S*),7aalpha))-
    • Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester, (1R-(1alpha-(2S*,3S*),7aalpha))-
    • RefChem:52967
    • BUTANOIC ACID, 2,3-DIHYDROXY-2-(1-METHYLETHYL)-, (HEXAHYDRO-1H-PYRROLIZIN-1-YL)METHYL ESTER, (1R-(1alpha(2S*,3S*),7Aalpha))-
    • [(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
    • Viridoflorine
    • orb2279466
    • SCHEMBL3438698
    • DTXSID901362060
    • AKOS040734755
    • NS00094182
    • Q27259499
    • BUTANOIC ACID, 2,3-DIHYDROXY-2-(1-METHYLETHYL)-, (HEXAHYDRO-1H-PYRROLIZIN-1-YL)METHYL ESTER, (1R-(1.ALPHA.(2S*,3S*),7A.ALPHA.))-
    • 551-57-5
  • Applications

    Viridiflorine (CAS 551-57-5) is evaluated for a range of industrial applications, including as an odorant/fragrance component in perfumery and cosmetics; may function as a solvent or co-solvent in personal care formulations and cleaning products; often considered an intermediate in organic synthesis within the chemical industry; used in coatings and inks as a solvent or processing additive; and studied for use in cleaning formulations and related industrial processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 459.85
    methanol 936.92
    isopropanol 248.75
    water 35.98
    ethyl acetate 299.11
    n-propanol 291.89
    acetone 290.69
    n-butanol 271.69
    acetonitrile 132.78
    DMF 338.7
    toluene 52.66
    isobutanol 202.35
    1,4-dioxane 459.38
    methyl acetate 190.26
    THF 619.1
    2-butanone 167.8
    n-pentanol 115.1
    sec-butanol 170.53
    n-hexane 3.43
    ethylene glycol 234.93
    NMP 316.97
    cyclohexane 12.37
    DMSO 650.31
    n-butyl acetate 159.51
    n-octanol 66.07
    chloroform 770.47
    n-propyl acetate 119.69
    acetic acid 1369.19
    dichloromethane 613.34
    cyclohexanone 364.78
    propylene glycol 188.09
    isopropyl acetate 232.8
    DMAc 300.72
    2-ethoxyethanol 366.32
    isopentanol 230.98
    n-heptane 3.08
    ethyl formate 252.09
    1,2-dichloroethane 349.92
    n-hexanol 133.88
    2-methoxyethanol 823.97
    isobutyl acetate 83.18
    tetrachloromethane 109.86
    n-pentyl acetate 132.16
    transcutol 1032.13
    n-heptanol 86.71
    ethylbenzene 25.45
    MIBK 167.71
    2-propoxyethanol 386.77
    tert-butanol 253.11
    MTBE 121.65
    2-butoxyethanol 268.58
    propionic acid 345.17
    o-xylene 44.49
    formic acid 1384.87
    diethyl ether 140.16
    m-xylene 55.36
    p-xylene 34.29
    chlorobenzene 121.35
    dimethyl carbonate 114.42
    n-octane 2.47
    formamide 1248.0
    cyclopentanone 383.71
    2-pentanone 220.04
    anisole 63.08
    cyclopentyl methyl ether 182.94
    gamma-butyrolactone 562.55
    1-methoxy-2-propanol 483.35
    pyridine 204.41
    3-pentanone 120.65
    furfural 508.91
    n-dodecane 2.4
    diethylene glycol 426.17
    diisopropyl ether 47.3
    tert-amyl alcohol 181.09
    acetylacetone 351.14
    n-hexadecane 2.82
    acetophenone 99.85
    methyl propionate 181.65
    isopentyl acetate 154.77
    trichloroethylene 736.67
    n-nonanol 61.53
    cyclohexanol 217.61
    benzyl alcohol 114.18
    2-ethylhexanol 60.83
    isooctanol 70.81
    dipropyl ether 38.59
    1,2-dichlorobenzene 130.05
    ethyl lactate 100.46
    propylene carbonate 329.94
    n-methylformamide 438.72
    2-pentanol 149.07
    n-pentane 5.97
    1-propoxy-2-propanol 222.54
    1-methoxy-2-propyl acetate 230.22
    2-(2-methoxypropoxy) propanol 177.8
    mesitylene 37.01
    ε-caprolactone 404.34
    p-cymene 26.77
    epichlorohydrin 620.72
    1,1,1-trichloroethane 259.76
    2-aminoethanol 370.05
    morpholine-4-carbaldehyde 462.57
    sulfolane 576.28
    2,2,4-trimethylpentane 6.41
    2-methyltetrahydrofuran 293.78
    n-hexyl acetate 155.53
    isooctane 5.51
    2-(2-butoxyethoxy)ethanol 292.73
    sec-butyl acetate 94.26
    tert-butyl acetate 213.8
    decalin 6.13
    glycerin 400.4
    diglyme 510.51
    acrylic acid 386.52
    isopropyl myristate 43.78
    n-butyric acid 584.1
    acetyl acetate 258.23
    di(2-ethylhexyl) phthalate 66.02
    ethyl propionate 98.64
    nitromethane 1088.03
    1,2-diethoxyethane 168.96
    benzonitrile 122.6
    trioctyl phosphate 49.68
    1-bromopropane 119.89
    gamma-valerolactone 664.48
    n-decanol 40.8
    triethyl phosphate 54.6
    4-methyl-2-pentanol 103.1
    propionitrile 100.83
    vinylene carbonate 327.58
    1,1,2-trichlorotrifluoroethane 687.57
    DMS 143.11
    cumene 23.49
    2-octanol 52.96
    2-hexanone 86.8
    octyl acetate 63.02
    limonene 37.06
    1,2-dimethoxyethane 319.43
    ethyl orthosilicate 53.05
    tributyl phosphate 59.24
    diacetone alcohol 258.97
    N,N-dimethylaniline 46.92
    acrylonitrile 152.0
    aniline 120.76
    1,3-propanediol 543.1
    bromobenzene 105.27
    dibromomethane 340.6
    1,1,2,2-tetrachloroethane 573.25
    2-methyl-cyclohexyl acetate 88.74
    tetrabutyl urea 68.22
    diisobutyl methanol 42.3
    2-phenylethanol 134.19
    styrene 27.48
    dioctyl adipate 69.18
    dimethyl sulfate 210.99
    ethyl butyrate 89.31
    methyl lactate 190.74
    butyl lactate 145.72
    diethyl carbonate 64.25
    propanediol butyl ether 230.58
    triethyl orthoformate 75.19
    p-tert-butyltoluene 25.77
    methyl 4-tert-butylbenzoate 137.82
    morpholine 512.39
    tert-butylamine 93.49
    n-dodecanol 27.44
    dimethoxymethane 339.85
    ethylene carbonate 285.61
    cyrene 168.52
    2-ethoxyethyl acetate 239.17
    2-ethylhexyl acetate 106.79
    1,2,4-trichlorobenzene 158.15
    4-methylpyridine 157.79
    dibutyl ether 42.31
    2,6-dimethyl-4-heptanol 42.3
    DEF 211.74
    dimethyl isosorbide 264.31
    tetrachloroethylene 454.7
    eugenol 141.05
    triacetin 168.23
    span 80 154.34
    1,4-butanediol 157.96
    1,1-dichloroethane 296.19
    2-methyl-1-pentanol 111.34
    methyl formate 347.99
    2-methyl-1-butanol 189.92
    n-decane 4.28
    butyronitrile 126.59
    3,7-dimethyl-1-octanol 67.43
    1-chlorooctane 26.49
    1-chlorotetradecane 9.22
    n-nonane 3.46
    undecane 3.1
    tert-butylcyclohexane 5.07
    cyclooctane 4.75
    cyclopentanol 225.6
    tetrahydropyran 276.11
    tert-amyl methyl ether 90.82
    2,5,8-trioxanonane 295.69
    1-hexene 14.1
    2-isopropoxyethanol 202.93
    2,2,2-trifluoroethanol 674.64
    methyl butyrate 136.46

    Scent© AI

1 of 4
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