Botrydiol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    67996-32-1

    Molecular formula
    C17H30O5

    SMILES
    C[C@@H]1C[C@@H]([C@@H]2[C@]([C@H]1CO)([C@@](CC2(C)C)(C)CO)O)OC(=O)C

    Retention indicies (RI)

    • DB5: 1692.0

  • Odor profile

    Mint 46.68%
    Cooling 42.07%
    Odorless 41.36%
    Woody 40.06%
    Herbal 38.54%
    Sweet 36.47%
    Camphoreous 30.86%
    Balsamic 30.82%
    Pine 29.03%
    Spicy 27.2%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    Molecular weight
    314.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    305°C

    Flash point est.
    204.12 ˚C

  • Synonyms

    • Botrydiol
    • DTXSID80348417
    • 78433-22-4
    • Acetic acid 7a-hydroxy-1,7-bis-hydroxymethyl-1,3,3,6-tetramethyl-octahydro-inden-4-yl ester
    • (1R,3aR,4S,6R,7R,7aR)-7a-hydroxy-1,7-bis(hydroxymethyl)-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl rel-acetate
    • 1H-indene-1,7-dimethanol, 4-(acetyloxy)octahydro-7a-hydroxy-1,3,3,6-tetramethyl-, (1R,3aR,4S,6R,7R,7aR)-
    • CHEMBL505182
    • DTXCID70299489

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 231.57
    methanol 945.39
    isopropanol 149.85
    water 57.07
    ethyl acetate 86.07
    n-propanol 160.72
    acetone 208.23
    n-butanol 104.09
    acetonitrile 118.26
    DMF 897.9
    toluene 51.09
    isobutanol 94.01
    1,4-dioxane 288.65
    methyl acetate 90.39
    THF 792.48
    2-butanone 101.57
    n-pentanol 70.09
    sec-butanol 68.25
    n-hexane 2.07
    ethylene glycol 256.84
    NMP 654.06
    cyclohexane 2.99
    DMSO 628.84
    n-butyl acetate 48.18
    n-octanol 30.45
    chloroform 181.42
    n-propyl acetate 54.89
    acetic acid 368.29
    dichloromethane 188.77
    cyclohexanone 213.68
    propylene glycol 261.82
    isopropyl acetate 63.9
    DMAc 361.01
    2-ethoxyethanol 184.66
    isopentanol 71.4
    n-heptane 2.3
    ethyl formate 115.67
    1,2-dichloroethane 93.18
    n-hexanol 80.32
    2-methoxyethanol 545.74
    isobutyl acetate 42.26
    tetrachloromethane 25.21
    n-pentyl acetate 44.92
    transcutol 159.68
    n-heptanol 42.59
    ethylbenzene 20.53
    MIBK 70.98
    2-propoxyethanol 269.59
    tert-butanol 120.71
    MTBE 30.78
    2-butoxyethanol 109.12
    propionic acid 162.72
    o-xylene 28.33
    formic acid 570.4
    diethyl ether 44.51
    m-xylene 48.62
    p-xylene 28.22
    chlorobenzene 57.24
    dimethyl carbonate 115.53
    n-octane 1.19
    formamide 485.15
    cyclopentanone 405.81
    2-pentanone 99.17
    anisole 52.33
    cyclopentyl methyl ether 141.13
    gamma-butyrolactone 551.85
    1-methoxy-2-propanol 402.03
    pyridine 179.64
    3-pentanone 59.02
    furfural 402.9
    n-dodecane 0.84
    diethylene glycol 303.14
    diisopropyl ether 12.43
    tert-amyl alcohol 56.58
    acetylacetone 179.21
    n-hexadecane 0.97
    acetophenone 84.1
    methyl propionate 111.93
    isopentyl acetate 45.81
    trichloroethylene 207.58
    n-nonanol 26.76
    cyclohexanol 83.34
    benzyl alcohol 98.44
    2-ethylhexanol 29.94
    isooctanol 32.78
    dipropyl ether 28.21
    1,2-dichlorobenzene 53.93
    ethyl lactate 78.23
    propylene carbonate 232.01
    n-methylformamide 507.5
    2-pentanol 47.74
    n-pentane 2.56
    1-propoxy-2-propanol 138.96
    1-methoxy-2-propyl acetate 107.57
    2-(2-methoxypropoxy) propanol 69.48
    mesitylene 25.37
    ε-caprolactone 197.76
    p-cymene 15.77
    epichlorohydrin 397.77
    1,1,1-trichloroethane 58.32
    2-aminoethanol 311.92
    morpholine-4-carbaldehyde 471.01
    sulfolane 570.78
    2,2,4-trimethylpentane 1.62
    2-methyltetrahydrofuran 189.76
    n-hexyl acetate 53.81
    isooctane 1.73
    2-(2-butoxyethoxy)ethanol 89.6
    sec-butyl acetate 35.13
    tert-butyl acetate 66.4
    decalin 2.62
    glycerin 459.91
    diglyme 150.69
    acrylic acid 210.12
    isopropyl myristate 15.54
    n-butyric acid 162.38
    acetyl acetate 82.48
    di(2-ethylhexyl) phthalate 34.36
    ethyl propionate 53.08
    nitromethane 510.8
    1,2-diethoxyethane 37.95
    benzonitrile 91.29
    trioctyl phosphate 26.98
    1-bromopropane 31.72
    gamma-valerolactone 577.04
    n-decanol 17.22
    triethyl phosphate 28.09
    4-methyl-2-pentanol 36.8
    propionitrile 70.85
    vinylene carbonate 224.88
    1,1,2-trichlorotrifluoroethane 310.51
    DMS 66.07
    cumene 15.99
    2-octanol 24.28
    2-hexanone 52.72
    octyl acetate 24.7
    limonene 17.93
    1,2-dimethoxyethane 211.03
    ethyl orthosilicate 24.57
    tributyl phosphate 23.79
    diacetone alcohol 132.43
    N,N-dimethylaniline 46.55
    acrylonitrile 131.83
    aniline 85.86
    1,3-propanediol 268.49
    bromobenzene 49.37
    dibromomethane 88.07
    1,1,2,2-tetrachloroethane 147.53
    2-methyl-cyclohexyl acetate 43.83
    tetrabutyl urea 35.3
    diisobutyl methanol 18.22
    2-phenylethanol 91.11
    styrene 20.27
    dioctyl adipate 31.74
    dimethyl sulfate 223.98
    ethyl butyrate 38.84
    methyl lactate 182.58
    butyl lactate 61.46
    diethyl carbonate 28.9
    propanediol butyl ether 112.04
    triethyl orthoformate 33.1
    p-tert-butyltoluene 16.26
    methyl 4-tert-butylbenzoate 81.89
    morpholine 345.24
    tert-butylamine 36.76
    n-dodecanol 11.01
    dimethoxymethane 463.33
    ethylene carbonate 171.57
    cyrene 154.05
    2-ethoxyethyl acetate 67.46
    2-ethylhexyl acetate 33.73
    1,2,4-trichlorobenzene 73.92
    4-methylpyridine 159.64
    dibutyl ether 12.92
    2,6-dimethyl-4-heptanol 18.22
    DEF 129.43
    dimethyl isosorbide 159.79
    tetrachloroethylene 94.6
    eugenol 96.52
    triacetin 71.78
    span 80 76.36
    1,4-butanediol 112.41
    1,1-dichloroethane 67.79
    2-methyl-1-pentanol 44.68
    methyl formate 428.61
    2-methyl-1-butanol 59.54
    n-decane 1.64
    butyronitrile 70.36
    3,7-dimethyl-1-octanol 24.56
    1-chlorooctane 9.46
    1-chlorotetradecane 3.07
    n-nonane 1.49
    undecane 1.13
    tert-butylcyclohexane 2.43
    cyclooctane 1.52
    cyclopentanol 161.82
    tetrahydropyran 126.54
    tert-amyl methyl ether 29.28
    2,5,8-trioxanonane 101.1
    1-hexene 9.11
    2-isopropoxyethanol 106.09
    2,2,2-trifluoroethanol 190.79
    methyl butyrate 68.8

    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

Botanical

Name CAS Botanical Proportion
Chenopodium botrys Chenopodium botrys L., fam. Chenopodiaceae 9.0%