Plenolin

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  • Identifiers

    CAS number
    34257-95-9

    Molecular formula
    C15H20O4

    SMILES
    C[C@@H]1C[C@@H]2[C@@H]([C@@H](C(=O)O2)C)[C@@H]([C@]3([C@H]1C=CC3=O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 41.05%
    Spicy 36.5%
    Woody 32.97%
    Burnt 31.7%
    Caramellic 29.05%
    Sweet 28.71%
    Nutty 25.73%
    Roasted 23.4%
    Phenolic 21.69%
    Tobacco 19.4%

     

    Flavor
    Bitter 88.44%
    Cedarleaf 21.9%
    Sweet-like 20.35%
    Lovage 20.11%
    Fenugreek 20.05%
    Leaves 19.62%
    Ripe apricot 19.48%
    Basil 19.26%
    Red fruit 19.24%
    Seedy 19.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    5.46 (weak acid)

    Molecular weight
    264.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    658°C

    Flash point

    • 171.82 ˚C est.

  • Synonyms

    • Plenolin
    • 11,13-Dihydrohelenalin
    • 34257-95-9
    • T7Z3NV8U7T
    • (1S,3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,7-b]furan-2,8-dione
    • DTXSID70874699
    • (1S,3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1H-azuleno(6,7-b)furan-2,8-dione
    • RefChem:45690
    • DTXCID201012824
    • CHEMBL188283
    • AC1L9CK5
    • 11,13-Dihyrdrohelenalin
    • Dihydrohelenalin (Plenolin)
    • CHEBI:8268
    • SCHEMBL30151485
    • C09531
    • Q27108022
    • 4-Hydroxy-3,4a,8-trimethyl-3,3a,4,4a,7a,8,9,9a- octahydroazuleno[6,5-b]furan-2,5-dione
    • (3S,3AS,4S,4AR,7AR,8R,9AR)-3,3A,4,4A,7A,8,9,9A-OCTAHYDRO-4-HYDROXY-3,4A,8-TRIMETHYLAZULENO(6,5-B)FURAN-2,5-DIONE
    • AMBROS-2-EN-12-OIC ACID, 6.ALPHA.,8.BETA.-DIHYDROXY-4-OXO-, 12,8-LACTONE, (11S)-
    • AZULENO(6,5-B)FURAN-2,5-DIONE, 3,3A,4,4A,7A,8,9,9A-OCTAHYDRO-4-HYDROXY-3,4A,8-TRIMETHYL-, (3S,3AS,4S,4AR,7AR,8R,9AR)-
    • 34257-95-9

  • Applications

    Plenolin (CAS 34257-95-9) is typically used as a fragrance ingredient with potential roles in perfumery and cosmetics, where it can function as an odorant or contribute to scent stability; it may also be employed in household products such as cleaners and air fresheners to impart fragrance. In coatings and inks, it can serve as an aroma additive or processing aid, and in polymers/plastics manufacture it may act as an odorant or processing aid. It can also be used as an intermediate or solvent in industrial manufacturing, depending on formulation requirements and regulatory constraints, and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 35.06
    methanol 134.25
    isopropanol 50.38
    water 5.19
    ethyl acetate 61.35
    n-propanol 43.27
    acetone 108.27
    n-butanol 43.66
    acetonitrile 56.22
    DMF 329.71
    toluene 70.13
    isobutanol 35.57
    1,4-dioxane 190.9
    methyl acetate 76.97
    THF 286.79
    2-butanone 91.4
    n-pentanol 28.89
    sec-butanol 26.32
    n-hexane 0.88
    ethylene glycol 37.4
    NMP 219.45
    cyclohexane 3.35
    DMSO 271.85
    n-butyl acetate 46.51
    n-octanol 19.53
    chloroform 252.77
    n-propyl acetate 43.1
    acetic acid 79.96
    dichloromethane 214.51
    cyclohexanone 166.17
    propylene glycol 23.52
    isopropyl acetate 49.98
    DMAc 183.26
    2-ethoxyethanol 75.97
    isopentanol 41.5
    n-heptane 1.12
    ethyl formate 59.92
    1,2-dichloroethane 104.0
    n-hexanol 39.37
    2-methoxyethanol 154.13
    isobutyl acetate 36.04
    tetrachloromethane 30.96
    n-pentyl acetate 41.45
    transcutol 95.9
    n-heptanol 26.13
    ethylbenzene 25.63
    MIBK 53.5
    2-propoxyethanol 114.38
    tert-butanol 51.74
    MTBE 19.8
    2-butoxyethanol 61.66
    propionic acid 58.49
    o-xylene 40.6
    formic acid 77.88
    diethyl ether 25.55
    m-xylene 49.81
    p-xylene 38.96
    chlorobenzene 87.16
    dimethyl carbonate 74.28
    n-octane 1.0
    formamide 115.54
    cyclopentanone 241.73
    2-pentanone 71.35
    anisole 52.73
    cyclopentyl methyl ether 70.14
    gamma-butyrolactone 259.05
    1-methoxy-2-propanol 108.61
    pyridine 154.77
    3-pentanone 58.8
    furfural 200.68
    n-dodecane 1.35
    diethylene glycol 140.48
    diisopropyl ether 11.55
    tert-amyl alcohol 25.54
    acetylacetone 113.23
    n-hexadecane 1.62
    acetophenone 70.14
    methyl propionate 68.84
    isopentyl acetate 46.25
    trichloroethylene 231.22
    n-nonanol 20.37
    cyclohexanol 48.13
    benzyl alcohol 67.33
    2-ethylhexanol 23.05
    isooctanol 22.85
    dipropyl ether 15.45
    1,2-dichlorobenzene 77.36
    ethyl lactate 42.56
    propylene carbonate 117.28
    n-methylformamide 147.4
    2-pentanol 23.96
    n-pentane 1.16
    1-propoxy-2-propanol 60.57
    1-methoxy-2-propyl acetate 70.36
    2-(2-methoxypropoxy) propanol 55.21
    mesitylene 28.12
    ε-caprolactone 118.0
    p-cymene 19.78
    epichlorohydrin 223.17
    1,1,1-trichloroethane 87.43
    2-aminoethanol 44.28
    morpholine-4-carbaldehyde 231.6
    sulfolane 260.98
    2,2,4-trimethylpentane 1.35
    2-methyltetrahydrofuran 95.17
    n-hexyl acetate 45.37
    isooctane 1.55
    2-(2-butoxyethoxy)ethanol 60.02
    sec-butyl acetate 33.28
    tert-butyl acetate 48.5
    decalin 3.2
    glycerin 65.53
    diglyme 117.55
    acrylic acid 71.17
    isopropyl myristate 22.02
    n-butyric acid 72.41
    acetyl acetate 69.54
    di(2-ethylhexyl) phthalate 34.42
    ethyl propionate 43.35
    nitromethane 169.18
    1,2-diethoxyethane 35.27
    benzonitrile 93.21
    trioctyl phosphate 25.8
    1-bromopropane 34.67
    gamma-valerolactone 256.89
    n-decanol 15.71
    triethyl phosphate 28.51
    4-methyl-2-pentanol 21.75
    propionitrile 54.78
    vinylene carbonate 135.84
    1,1,2-trichlorotrifluoroethane 135.49
    DMS 62.46
    cumene 19.95
    2-octanol 16.91
    2-hexanone 45.2
    octyl acetate 27.69
    limonene 21.22
    1,2-dimethoxyethane 117.16
    ethyl orthosilicate 25.58
    tributyl phosphate 26.85
    diacetone alcohol 68.4
    N,N-dimethylaniline 41.23
    acrylonitrile 94.93
    aniline 75.01
    1,3-propanediol 71.62
    bromobenzene 86.34
    dibromomethane 108.95
    1,1,2,2-tetrachloroethane 154.98
    2-methyl-cyclohexyl acetate 41.05
    tetrabutyl urea 37.9
    diisobutyl methanol 16.17
    2-phenylethanol 67.55
    styrene 28.78
    dioctyl adipate 34.2
    dimethyl sulfate 127.43
    ethyl butyrate 36.29
    methyl lactate 66.11
    butyl lactate 39.56
    diethyl carbonate 31.83
    propanediol butyl ether 43.87
    triethyl orthoformate 30.01
    p-tert-butyltoluene 17.81
    methyl 4-tert-butylbenzoate 61.08
    morpholine 148.9
    tert-butylamine 21.01
    n-dodecanol 12.23
    dimethoxymethane 180.64
    ethylene carbonate 110.19
    cyrene 87.43
    2-ethoxyethyl acetate 57.66
    2-ethylhexyl acetate 37.57
    1,2,4-trichlorobenzene 91.27
    4-methylpyridine 128.87
    dibutyl ether 13.19
    2,6-dimethyl-4-heptanol 16.17
    DEF 76.2
    dimethyl isosorbide 102.04
    tetrachloroethylene 102.22
    eugenol 64.98
    triacetin 57.58
    span 80 44.51
    1,4-butanediol 33.49
    1,1-dichloroethane 89.06
    2-methyl-1-pentanol 29.21
    methyl formate 139.28
    2-methyl-1-butanol 31.79
    n-decane 2.07
    butyronitrile 48.49
    3,7-dimethyl-1-octanol 20.42
    1-chlorooctane 10.93
    1-chlorotetradecane 5.56
    n-nonane 1.55
    undecane 1.63
    tert-butylcyclohexane 2.46
    cyclooctane 1.57
    cyclopentanol 64.75
    tetrahydropyran 86.28
    tert-amyl methyl ether 17.51
    2,5,8-trioxanonane 87.32
    1-hexene 4.67
    2-isopropoxyethanol 54.38
    2,2,2-trifluoroethanol 66.75
    methyl butyrate 53.7

    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