alpha-Chenopodiol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    67996-31-0

    Molecular formula
    C15H26O2

    SMILES
    CC1=CCCC2(C1C(C(CC2)C(C)(C)O)O)C

    Retention indicies (RI)

    • DB5: 1858.0

  • Odor profile

    Herbal 65.85%
    Woody 63.79%
    Sweet 48.1%
    Balsamic 46.67%
    Spicy 46.45%
    Mint 46.09%
    Camphoreous 43.68%
    Pine 43.4%
    Earthy 41.97%
    Floral 38.27%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    353°C

    Flash point est.
    150.73 ˚C

  • Synonyms

    • .alpha.-Chenopodiol
    • LBZDGNDASDARLL-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 186.6
    methanol 321.65
    isopropanol 116.37
    water 1.84
    ethyl acetate 123.21
    n-propanol 148.94
    acetone 161.11
    n-butanol 126.26
    acetonitrile 140.46
    DMF 296.44
    toluene 116.07
    isobutanol 97.78
    1,4-dioxane 495.68
    methyl acetate 118.96
    THF 785.89
    2-butanone 120.36
    n-pentanol 74.26
    sec-butanol 78.85
    n-hexane 10.01
    ethylene glycol 30.36
    NMP 244.62
    cyclohexane 31.75
    DMSO 165.52
    n-butyl acetate 130.84
    n-octanol 78.19
    chloroform 281.33
    n-propyl acetate 82.14
    acetic acid 132.77
    dichloromethane 209.06
    cyclohexanone 238.38
    propylene glycol 53.65
    isopropyl acetate 87.81
    DMAc 173.8
    2-ethoxyethanol 107.36
    isopentanol 97.29
    n-heptane 16.95
    ethyl formate 101.97
    1,2-dichloroethane 105.55
    n-hexanol 169.56
    2-methoxyethanol 251.19
    isobutyl acetate 70.7
    tetrachloromethane 44.2
    n-pentyl acetate 89.52
    transcutol 480.15
    n-heptanol 84.64
    ethylbenzene 43.18
    MIBK 81.51
    2-propoxyethanol 269.42
    tert-butanol 132.46
    MTBE 90.71
    2-butoxyethanol 139.67
    propionic acid 100.18
    o-xylene 64.54
    formic acid 78.46
    diethyl ether 119.53
    m-xylene 85.96
    p-xylene 60.22
    chlorobenzene 110.35
    dimethyl carbonate 64.86
    n-octane 5.59
    formamide 99.91
    cyclopentanone 297.22
    2-pentanone 109.98
    anisole 92.54
    cyclopentyl methyl ether 203.87
    gamma-butyrolactone 351.02
    1-methoxy-2-propanol 199.84
    pyridine 238.74
    3-pentanone 84.61
    furfural 260.6
    n-dodecane 4.96
    diethylene glycol 181.49
    diisopropyl ether 40.97
    tert-amyl alcohol 82.47
    acetylacetone 135.49
    n-hexadecane 5.84
    acetophenone 86.81
    methyl propionate 107.5
    isopentyl acetate 119.99
    trichloroethylene 214.14
    n-nonanol 69.42
    cyclohexanol 122.75
    benzyl alcohol 85.14
    2-ethylhexanol 86.64
    isooctanol 64.83
    dipropyl ether 104.3
    1,2-dichlorobenzene 90.87
    ethyl lactate 54.15
    propylene carbonate 180.29
    n-methylformamide 155.16
    2-pentanol 69.35
    n-pentane 13.23
    1-propoxy-2-propanol 202.91
    1-methoxy-2-propyl acetate 161.28
    2-(2-methoxypropoxy) propanol 131.1
    mesitylene 56.16
    ε-caprolactone 203.26
    p-cymene 49.57
    epichlorohydrin 270.36
    1,1,1-trichloroethane 105.85
    2-aminoethanol 81.96
    morpholine-4-carbaldehyde 312.72
    sulfolane 246.59
    2,2,4-trimethylpentane 8.03
    2-methyltetrahydrofuran 288.25
    n-hexyl acetate 130.45
    isooctane 8.2
    2-(2-butoxyethoxy)ethanol 188.28
    sec-butyl acetate 59.88
    tert-butyl acetate 101.25
    decalin 12.7
    glycerin 84.16
    diglyme 298.91
    acrylic acid 87.69
    isopropyl myristate 50.35
    n-butyric acid 140.84
    acetyl acetate 94.31
    di(2-ethylhexyl) phthalate 63.62
    ethyl propionate 71.67
    nitromethane 216.42
    1,2-diethoxyethane 150.07
    benzonitrile 121.55
    trioctyl phosphate 47.85
    1-bromopropane 72.38
    gamma-valerolactone 410.66
    n-decanol 50.29
    triethyl phosphate 52.08
    4-methyl-2-pentanol 53.05
    propionitrile 118.53
    vinylene carbonate 176.53
    1,1,2-trichlorotrifluoroethane 171.1
    DMS 94.35
    cumene 35.02
    2-octanol 52.62
    2-hexanone 73.89
    octyl acetate 64.58
    limonene 67.15
    1,2-dimethoxyethane 216.48
    ethyl orthosilicate 53.96
    tributyl phosphate 50.68
    diacetone alcohol 117.26
    N,N-dimethylaniline 67.43
    acrylonitrile 133.29
    aniline 127.47
    1,3-propanediol 122.12
    bromobenzene 102.66
    dibromomethane 127.88
    1,1,2,2-tetrachloroethane 166.29
    2-methyl-cyclohexyl acetate 93.38
    tetrabutyl urea 64.67
    diisobutyl methanol 53.72
    2-phenylethanol 124.92
    styrene 47.03
    dioctyl adipate 70.2
    dimethyl sulfate 81.15
    ethyl butyrate 91.02
    methyl lactate 78.98
    butyl lactate 85.72
    diethyl carbonate 61.48
    propanediol butyl ether 137.6
    triethyl orthoformate 81.7
    p-tert-butyltoluene 51.95
    methyl 4-tert-butylbenzoate 110.54
    morpholine 446.45
    tert-butylamine 86.0
    n-dodecanol 36.76
    dimethoxymethane 248.94
    ethylene carbonate 150.08
    cyrene 123.19
    2-ethoxyethyl acetate 125.76
    2-ethylhexyl acetate 100.03
    1,2,4-trichlorobenzene 111.94
    4-methylpyridine 201.65
    dibutyl ether 68.06
    2,6-dimethyl-4-heptanol 53.72
    DEF 113.82
    dimethyl isosorbide 238.97
    tetrachloroethylene 110.18
    eugenol 103.89
    triacetin 112.65
    span 80 134.49
    1,4-butanediol 38.72
    1,1-dichloroethane 103.41
    2-methyl-1-pentanol 63.7
    methyl formate 131.86
    2-methyl-1-butanol 85.01
    n-decane 9.45
    butyronitrile 132.6
    3,7-dimethyl-1-octanol 72.36
    1-chlorooctane 40.16
    1-chlorotetradecane 14.52
    n-nonane 8.42
    undecane 6.64
    tert-butylcyclohexane 11.64
    cyclooctane 11.56
    cyclopentanol 138.25
    tetrahydropyran 355.63
    tert-amyl methyl ether 66.14
    2,5,8-trioxanonane 204.57
    1-hexene 32.69
    2-isopropoxyethanol 82.43
    2,2,2-trifluoroethanol 51.83
    methyl butyrate 88.14

    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 24.7%