cis-Thujenol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    69651-92-9

    Molecular formula
    C10H16O

    SMILES
    CC1=C[C@@H]([C@@]2([C@H]1C2)C(C)C)O

    Retention indicies (RI)

    • Carbowax: 1723.0

  • Odor profile

    Woody 58.71%
    Mint 56.45%
    Spicy 54.64%
    Herbal 52.75%
    Cooling 44.37%
    Camphoreous 42.19%
    Balsamic 33.27%
    Earthy 33.17%
    Pine 31.17%
    Fresh 30.99%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    218°C

    Flash point est.
    79.11 ˚C

  • Synonyms

    • cis-thujenol
    • (1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo(3.1.0)hex-3-en-2-ol
    • (1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol
    • 69651-92-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 992.8
    methanol 1117.31
    isopropanol 901.26
    water 12.53
    ethyl acetate 514.39
    n-propanol 760.1
    acetone 832.54
    n-butanol 602.26
    acetonitrile 823.39
    DMF 614.96
    toluene 262.36
    isobutanol 516.13
    1,4-dioxane 1400.84
    methyl acetate 565.33
    THF 1722.94
    2-butanone 560.5
    n-pentanol 316.66
    sec-butanol 515.93
    n-hexane 77.82
    ethylene glycol 247.34
    NMP 271.23
    cyclohexane 106.39
    DMSO 504.07
    n-butyl acetate 317.06
    n-octanol 206.88
    chloroform 1047.48
    n-propyl acetate 273.05
    acetic acid 432.05
    dichloromethane 807.34
    cyclohexanone 486.04
    propylene glycol 268.84
    isopropyl acetate 398.8
    DMAc 322.31
    2-ethoxyethanol 535.01
    isopentanol 460.26
    n-heptane 61.32
    ethyl formate 313.6
    1,2-dichloroethane 538.32
    n-hexanol 435.54
    2-methoxyethanol 999.91
    isobutyl acetate 214.34
    tetrachloromethane 273.18
    n-pentyl acetate 219.55
    transcutol 901.3
    n-heptanol 231.66
    ethylbenzene 149.34
    MIBK 358.89
    2-propoxyethanol 679.42
    tert-butanol 810.23
    MTBE 743.95
    2-butoxyethanol 378.01
    propionic acid 336.6
    o-xylene 160.63
    formic acid 223.57
    diethyl ether 809.0
    m-xylene 210.39
    p-xylene 207.25
    chlorobenzene 255.42
    dimethyl carbonate 213.16
    n-octane 34.36
    formamide 354.14
    cyclopentanone 681.35
    2-pentanone 484.75
    anisole 306.77
    cyclopentyl methyl ether 523.9
    gamma-butyrolactone 653.15
    1-methoxy-2-propanol 759.83
    pyridine 514.85
    3-pentanone 325.8
    furfural 446.34
    n-dodecane 26.46
    diethylene glycol 553.89
    diisopropyl ether 271.58
    tert-amyl alcohol 477.68
    acetylacetone 476.17
    n-hexadecane 30.14
    acetophenone 208.14
    methyl propionate 365.11
    isopentyl acetate 301.33
    trichloroethylene 732.37
    n-nonanol 177.48
    cyclohexanol 352.33
    benzyl alcohol 205.5
    2-ethylhexanol 200.66
    isooctanol 196.94
    dipropyl ether 288.25
    1,2-dichlorobenzene 209.94
    ethyl lactate 144.85
    propylene carbonate 316.99
    n-methylformamide 446.52
    2-pentanol 430.08
    n-pentane 107.58
    1-propoxy-2-propanol 433.37
    1-methoxy-2-propyl acetate 364.74
    2-(2-methoxypropoxy) propanol 259.88
    mesitylene 150.52
    ε-caprolactone 389.56
    p-cymene 106.21
    epichlorohydrin 800.61
    1,1,1-trichloroethane 580.3
    2-aminoethanol 426.8
    morpholine-4-carbaldehyde 464.04
    sulfolane 476.52
    2,2,4-trimethylpentane 48.66
    2-methyltetrahydrofuran 826.72
    n-hexyl acetate 297.91
    isooctane 62.17
    2-(2-butoxyethoxy)ethanol 376.81
    sec-butyl acetate 214.82
    tert-butyl acetate 421.45
    decalin 53.95
    glycerin 340.79
    diglyme 651.4
    acrylic acid 266.37
    isopropyl myristate 129.11
    n-butyric acid 430.28
    acetyl acetate 302.58
    di(2-ethylhexyl) phthalate 105.52
    ethyl propionate 250.99
    nitromethane 673.28
    1,2-diethoxyethane 410.13
    benzonitrile 264.95
    trioctyl phosphate 88.19
    1-bromopropane 407.32
    gamma-valerolactone 753.35
    n-decanol 135.34
    triethyl phosphate 107.24
    4-methyl-2-pentanol 277.99
    propionitrile 605.68
    vinylene carbonate 297.38
    1,1,2-trichlorotrifluoroethane 390.27
    DMS 224.06
    cumene 119.7
    2-octanol 169.97
    2-hexanone 288.34
    octyl acetate 149.71
    limonene 129.29
    1,2-dimethoxyethane 806.97
    ethyl orthosilicate 111.33
    tributyl phosphate 96.27
    diacetone alcohol 398.51
    N,N-dimethylaniline 183.37
    acrylonitrile 553.43
    aniline 304.58
    1,3-propanediol 629.19
    bromobenzene 253.83
    dibromomethane 585.29
    1,1,2,2-tetrachloroethane 556.2
    2-methyl-cyclohexyl acetate 167.39
    tetrabutyl urea 104.77
    diisobutyl methanol 154.66
    2-phenylethanol 264.09
    styrene 154.03
    dioctyl adipate 134.17
    dimethyl sulfate 211.28
    ethyl butyrate 213.81
    methyl lactate 210.1
    butyl lactate 167.26
    diethyl carbonate 147.12
    propanediol butyl ether 287.53
    triethyl orthoformate 160.84
    p-tert-butyltoluene 112.74
    methyl 4-tert-butylbenzoate 229.73
    morpholine 1171.24
    tert-butylamine 568.82
    n-dodecanol 106.43
    dimethoxymethane 740.1
    ethylene carbonate 285.26
    cyrene 188.44
    2-ethoxyethyl acetate 309.13
    2-ethylhexyl acetate 219.82
    1,2,4-trichlorobenzene 226.13
    4-methylpyridine 444.63
    dibutyl ether 216.94
    2,6-dimethyl-4-heptanol 154.66
    DEF 308.36
    dimethyl isosorbide 346.14
    tetrachloroethylene 420.49
    eugenol 215.72
    triacetin 210.57
    span 80 217.48
    1,4-butanediol 213.12
    1,1-dichloroethane 653.61
    2-methyl-1-pentanol 239.4
    methyl formate 348.71
    2-methyl-1-butanol 384.27
    n-decane 44.86
    butyronitrile 526.82
    3,7-dimethyl-1-octanol 187.54
    1-chlorooctane 133.51
    1-chlorotetradecane 59.08
    n-nonane 42.93
    undecane 33.35
    tert-butylcyclohexane 58.71
    cyclooctane 46.45
    cyclopentanol 440.47
    tetrahydropyran 933.08
    tert-amyl methyl ether 350.05
    2,5,8-trioxanonane 380.7
    1-hexene 192.93
    2-isopropoxyethanol 369.09
    2,2,2-trifluoroethanol 202.34
    methyl butyrate 272.37

    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
Angelica root (Finland) 4 8015-64-3 Angelica archangelica L. var. archangelica, fam. Apiaceae (Umbelliferae) 0.6%
Angelica root (Finland) 3 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 0.35%
Artemisia umbelliformis (Italy) Artemisia umbelliformis Lam., fam. Asteraceae (Compositae) 0.4%
Artemisia campestris (Italy) 1 Artemisia campestris L. ssp. borealis (Pallas), H.M. Hall et Clements 0.01%
Artemisia genipi (Italy) Artemisia genipi Weber, fam. Asteraceae (Compositae) 0.2%
Artemisia petrosa (Italy) Artemisia petrosa Baumg. ssp. eriantha Ten., fam. Asteraceae (Compositae) 0.1%
Artemisia vallesiaca (Italy) Artemisia vallesiaca All., fam. Asteraceae (Compositae) 0.1%
Wormwood (Mugwort) (Italy) 2 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 0.01%
Artemisia chamaemelifolia (Italy) Artemisia chamaemelifolia Vill., fam. Asteraceae (Compositae) 0.2%
Artemisia glacialis (Italy) Artemisia glacialis L., fam. Asteraceae (Compositae) 0.8%
Artemisia campestris (Italy) 2 Artemisia campestris L. ssp. campestris, fam. Asteraceae (Compositae) 0.01%
Artemisia alba (Italy) 84775-75-7 Artemisia alba Turra, fam. Asteraceae (Compositae) 0.1%
Artemisia abrotanum (Italy) Artemisia abrotanum L., fam. Asteraceae (Compositae) 0.01%
Annual wormwood (Italy) Artemisia annua L., fam. Asteraceae (Compositae) 0.3%
Artemisia verlotiorum (Italy) Artemisia verlotiorum Lamotte, fam. Asteraceae (Compositae) 0.01%
Armoise (Italy) 8008-93-3 Artemisia vulgaris L., fam. Asteraceae (Compositae) 0.01%