Thujopsan-2-alpha-ol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    25966-77-20

    Molecular formula
    C15H26O

    SMILES
    C[C@@]1(CCC2(CCCC(C23C1C3)(C)C)C)O

    Retention indicies (RI)

    • DB5: 1580.0

  • Odor profile

    Woody 86.39%
    Amber 61.65%
    Dry 54.99%
    Cedar 49.04%
    Earthy 48.33%
    Musk 48.06%
    Spicy 37.41%
    Sweet 37.16%
    Balsamic 36.53%
    Vetiver 35.37%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    9.14 (weak base)

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    306°C

    Flash point est.
    113.98 ˚C

  • Synonyms

    • Thujopsan-2-.alpha.-ol
    • YTLMZAPWDFQBAI-LSULYJRZSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 170.26
    methanol 164.67
    isopropanol 195.74
    water 1.18
    ethyl acetate 194.23
    n-propanol 180.4
    acetone 318.53
    n-butanol 159.0
    acetonitrile 172.92
    DMF 445.25
    toluene 163.17
    isobutanol 137.23
    1,4-dioxane 414.89
    methyl acetate 197.61
    THF 821.81
    2-butanone 246.14
    n-pentanol 81.26
    sec-butanol 115.43
    n-hexane 12.39
    ethylene glycol 46.9
    NMP 186.47
    cyclohexane 28.55
    DMSO 205.72
    n-butyl acetate 149.35
    n-octanol 77.32
    chloroform 368.91
    n-propyl acetate 104.63
    acetic acid 70.23
    dichloromethane 266.13
    cyclohexanone 288.8
    propylene glycol 63.94
    isopropyl acetate 167.02
    DMAc 247.41
    2-ethoxyethanol 131.18
    isopentanol 119.73
    n-heptane 18.01
    ethyl formate 114.53
    1,2-dichloroethane 179.91
    n-hexanol 144.6
    2-methoxyethanol 261.42
    isobutyl acetate 96.09
    tetrachloromethane 85.21
    n-pentyl acetate 115.09
    transcutol 204.04
    n-heptanol 89.85
    ethylbenzene 82.67
    MIBK 162.38
    2-propoxyethanol 286.71
    tert-butanol 195.48
    MTBE 183.15
    2-butoxyethanol 156.4
    propionic acid 84.85
    o-xylene 99.14
    formic acid 30.49
    diethyl ether 193.21
    m-xylene 127.64
    p-xylene 114.18
    chlorobenzene 147.49
    dimethyl carbonate 117.86
    n-octane 9.97
    formamide 68.97
    cyclopentanone 445.58
    2-pentanone 214.25
    anisole 161.69
    cyclopentyl methyl ether 228.98
    gamma-butyrolactone 365.35
    1-methoxy-2-propanol 251.32
    pyridine 263.09
    3-pentanone 162.72
    furfural 245.13
    n-dodecane 8.33
    diethylene glycol 190.59
    diisopropyl ether 75.49
    tert-amyl alcohol 110.36
    acetylacetone 254.71
    n-hexadecane 9.97
    acetophenone 132.16
    methyl propionate 177.39
    isopentyl acetate 154.62
    trichloroethylene 295.79
    n-nonanol 75.6
    cyclohexanol 115.25
    benzyl alcohol 107.02
    2-ethylhexanol 80.47
    isooctanol 69.69
    dipropyl ether 120.74
    1,2-dichlorobenzene 128.2
    ethyl lactate 71.34
    propylene carbonate 170.15
    n-methylformamide 189.47
    2-pentanol 101.83
    n-pentane 17.52
    1-propoxy-2-propanol 200.43
    1-methoxy-2-propyl acetate 214.31
    2-(2-methoxypropoxy) propanol 121.43
    mesitylene 83.42
    ε-caprolactone 212.02
    p-cymene 65.39
    epichlorohydrin 360.23
    1,1,1-trichloroethane 210.28
    2-aminoethanol 92.58
    morpholine-4-carbaldehyde 282.83
    sulfolane 288.34
    2,2,4-trimethylpentane 11.17
    2-methyltetrahydrofuran 294.7
    n-hexyl acetate 142.26
    isooctane 13.12
    2-(2-butoxyethoxy)ethanol 143.91
    sec-butyl acetate 89.4
    tert-butyl acetate 179.66
    decalin 16.7
    glycerin 86.76
    diglyme 283.64
    acrylic acid 70.43
    isopropyl myristate 67.68
    n-butyric acid 127.8
    acetyl acetate 135.62
    di(2-ethylhexyl) phthalate 61.97
    ethyl propionate 114.53
    nitromethane 199.79
    1,2-diethoxyethane 130.9
    benzonitrile 147.52
    trioctyl phosphate 52.18
    1-bromopropane 127.29
    gamma-valerolactone 448.14
    n-decanol 57.23
    triethyl phosphate 61.7
    4-methyl-2-pentanol 78.23
    propionitrile 188.75
    vinylene carbonate 172.22
    1,1,2-trichlorotrifluoroethane 178.66
    DMS 130.88
    cumene 60.17
    2-octanol 61.89
    2-hexanone 121.02
    octyl acetate 78.42
    limonene 72.67
    1,2-dimethoxyethane 267.47
    ethyl orthosilicate 59.46
    tributyl phosphate 52.84
    diacetone alcohol 170.64
    N,N-dimethylaniline 108.74
    acrylonitrile 208.66
    aniline 143.83
    1,3-propanediol 143.39
    bromobenzene 161.16
    dibromomethane 182.11
    1,1,2,2-tetrachloroethane 239.19
    2-methyl-cyclohexyl acetate 103.39
    tetrabutyl urea 72.63
    diisobutyl methanol 63.75
    2-phenylethanol 146.18
    styrene 88.68
    dioctyl adipate 72.7
    dimethyl sulfate 140.77
    ethyl butyrate 110.75
    methyl lactate 98.91
    butyl lactate 92.02
    diethyl carbonate 78.86
    propanediol butyl ether 110.34
    triethyl orthoformate 88.66
    p-tert-butyltoluene 70.53
    methyl 4-tert-butylbenzoate 131.95
    morpholine 381.26
    tert-butylamine 122.25
    n-dodecanol 42.46
    dimethoxymethane 373.14
    ethylene carbonate 159.99
    cyrene 110.29
    2-ethoxyethyl acetate 156.72
    2-ethylhexyl acetate 117.48
    1,2,4-trichlorobenzene 136.14
    4-methylpyridine 254.29
    dibutyl ether 78.97
    2,6-dimethyl-4-heptanol 63.75
    DEF 160.99
    dimethyl isosorbide 197.22
    tetrachloroethylene 162.0
    eugenol 123.23
    triacetin 122.42
    span 80 99.3
    1,4-butanediol 53.97
    1,1-dichloroethane 208.73
    2-methyl-1-pentanol 62.82
    methyl formate 148.81
    2-methyl-1-butanol 98.75
    n-decane 15.05
    butyronitrile 176.97
    3,7-dimethyl-1-octanol 73.14
    1-chlorooctane 53.7
    1-chlorotetradecane 22.54
    n-nonane 12.93
    undecane 10.98
    tert-butylcyclohexane 17.29
    cyclooctane 13.09
    cyclopentanol 161.39
    tetrahydropyran 330.61
    tert-amyl methyl ether 111.3
    2,5,8-trioxanonane 178.66
    1-hexene 43.36
    2-isopropoxyethanol 108.16
    2,2,2-trifluoroethanol 56.29
    methyl butyrate 130.74

    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
Eugenia nitida (Brazil) Eugenia nitida Camb., fam. Myrtaceae 1.4%
Myrcianthes cisplatensis leaf (Uruguay) Myrcianthes cisplatensis (Camb.) Berg., fam. Myrtaceae 2.0%