1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-ol acetate

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  • Identifiers

    CAS number
    137085-37-1

    Molecular formula
    C16H26O2

    SMILES
    CCC(/C=C/C1=C(CCCC1(C)C)C)OC(=O)C

  • Odor profile

    Woody 72.12%
    Floral 62.89%
    Fruity 59.83%
    Berry 55.09%
    Sweet 51.15%
    Violet 50.64%
    Powdery 47.2%
    Raspberry 40.54%
    Orris 35.51%
    Tropical 34.76%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    Molecular weight
    250.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    279°C

    Flash point est.
    134.22 ˚C

  • Synonyms

    • 137085-37-1
    • [(E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-yl] acetate
    • 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-ol acetate

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1169.31
    methanol 1002.59
    isopropanol 1005.2
    water 0.33
    ethyl acetate 1384.13
    n-propanol 1054.43
    acetone 1240.7
    n-butanol 1065.65
    acetonitrile 700.77
    DMF 1997.57
    toluene 1031.8
    isobutanol 858.69
    1,4-dioxane 2033.85
    methyl acetate 919.53
    THF 2836.86
    2-butanone 1109.65
    n-pentanol 615.25
    sec-butanol 913.47
    n-hexane 193.03
    ethylene glycol 101.17
    NMP 1661.11
    cyclohexane 310.27
    DMSO 832.56
    n-butyl acetate 958.85
    n-octanol 285.43
    chloroform 2641.62
    n-propyl acetate 576.98
    acetic acid 627.58
    dichloromethane 2086.18
    cyclohexanone 1648.63
    propylene glycol 216.22
    isopropyl acetate 1098.26
    DMAc 1704.44
    2-ethoxyethanol 644.26
    isopentanol 1011.42
    n-heptane 64.1
    ethyl formate 459.36
    1,2-dichloroethane 1541.29
    n-hexanol 903.63
    2-methoxyethanol 1176.07
    isobutyl acetate 485.3
    tetrachloromethane 368.96
    n-pentyl acetate 509.79
    transcutol 3202.43
    n-heptanol 299.17
    ethylbenzene 387.71
    MIBK 821.84
    2-propoxyethanol 1242.39
    tert-butanol 1388.45
    MTBE 2027.73
    2-butoxyethanol 525.04
    propionic acid 524.94
    o-xylene 507.87
    formic acid 181.76
    diethyl ether 1921.43
    m-xylene 721.61
    p-xylene 431.61
    chlorobenzene 880.76
    dimethyl carbonate 461.51
    n-octane 26.96
    formamide 280.65
    cyclopentanone 1563.0
    2-pentanone 1156.68
    anisole 699.56
    cyclopentyl methyl ether 1686.92
    gamma-butyrolactone 1471.9
    1-methoxy-2-propanol 1151.96
    pyridine 1140.93
    3-pentanone 896.42
    furfural 988.86
    n-dodecane 20.6
    diethylene glycol 649.43
    diisopropyl ether 582.45
    tert-amyl alcohol 1059.92
    acetylacetone 1101.4
    n-hexadecane 25.12
    acetophenone 528.16
    methyl propionate 1026.99
    isopentyl acetate 964.45
    trichloroethylene 2308.99
    n-nonanol 262.59
    cyclohexanol 1106.18
    benzyl alcohol 444.92
    2-ethylhexanol 443.73
    isooctanol 252.02
    dipropyl ether 576.39
    1,2-dichlorobenzene 749.5
    ethyl lactate 238.62
    propylene carbonate 805.63
    n-methylformamide 617.62
    2-pentanol 796.76
    n-pentane 172.05
    1-propoxy-2-propanol 828.25
    1-methoxy-2-propyl acetate 1104.4
    2-(2-methoxypropoxy) propanol 572.04
    mesitylene 395.73
    ε-caprolactone 1364.74
    p-cymene 199.99
    epichlorohydrin 2019.13
    1,1,1-trichloroethane 1486.15
    2-aminoethanol 314.84
    morpholine-4-carbaldehyde 1655.73
    sulfolane 1383.08
    2,2,4-trimethylpentane 98.4
    2-methyltetrahydrofuran 2282.65
    n-hexyl acetate 779.32
    isooctane 75.46
    2-(2-butoxyethoxy)ethanol 825.96
    sec-butyl acetate 552.46
    tert-butyl acetate 1181.96
    decalin 133.32
    glycerin 273.74
    diglyme 1368.37
    acrylic acid 362.83
    isopropyl myristate 263.54
    n-butyric acid 898.28
    acetyl acetate 743.42
    di(2-ethylhexyl) phthalate 244.69
    ethyl propionate 599.22
    nitromethane 907.02
    1,2-diethoxyethane 1119.86
    benzonitrile 587.25
    trioctyl phosphate 171.05
    1-bromopropane 1195.58
    gamma-valerolactone 1907.17
    n-decanol 181.09
    triethyl phosphate 236.88
    4-methyl-2-pentanol 472.15
    propionitrile 754.51
    vinylene carbonate 679.74
    1,1,2-trichlorotrifluoroethane 972.69
    DMS 637.54
    cumene 252.97
    2-octanol 206.41
    2-hexanone 593.98
    octyl acetate 332.21
    limonene 339.67
    1,2-dimethoxyethane 1182.82
    ethyl orthosilicate 264.85
    tributyl phosphate 244.0
    diacetone alcohol 923.15
    N,N-dimethylaniline 487.47
    acrylonitrile 660.77
    aniline 868.94
    1,3-propanediol 554.5
    bromobenzene 1011.02
    dibromomethane 1491.17
    1,1,2,2-tetrachloroethane 2030.22
    2-methyl-cyclohexyl acetate 474.82
    tetrabutyl urea 291.28
    diisobutyl methanol 221.49
    2-phenylethanol 579.5
    styrene 482.2
    dioctyl adipate 352.26
    dimethyl sulfate 584.7
    ethyl butyrate 526.36
    methyl lactate 374.31
    butyl lactate 353.63
    diethyl carbonate 332.87
    propanediol butyl ether 450.08
    triethyl orthoformate 394.95
    p-tert-butyltoluene 212.76
    methyl 4-tert-butylbenzoate 495.46
    morpholine 2454.39
    tert-butylamine 931.04
    n-dodecanol 128.59
    dimethoxymethane 1543.43
    ethylene carbonate 645.41
    cyrene 428.12
    2-ethoxyethyl acetate 785.87
    2-ethylhexyl acetate 745.61
    1,2,4-trichlorobenzene 819.63
    4-methylpyridine 1551.07
    dibutyl ether 463.84
    2,6-dimethyl-4-heptanol 221.49
    DEF 1339.28
    dimethyl isosorbide 923.57
    tetrachloroethylene 1176.68
    eugenol 427.34
    triacetin 588.94
    span 80 473.16
    1,4-butanediol 174.17
    1,1-dichloroethane 1628.58
    2-methyl-1-pentanol 626.69
    methyl formate 434.83
    2-methyl-1-butanol 944.93
    n-decane 40.14
    butyronitrile 854.56
    3,7-dimethyl-1-octanol 333.19
    1-chlorooctane 228.3
    1-chlorotetradecane 81.32
    n-nonane 38.8
    undecane 27.79
    tert-butylcyclohexane 123.6
    cyclooctane 95.53
    cyclopentanol 859.05
    tetrahydropyran 2591.9
    tert-amyl methyl ether 1222.99
    2,5,8-trioxanonane 850.73
    1-hexene 555.02
    2-isopropoxyethanol 535.93
    2,2,2-trifluoroethanol 218.51
    methyl butyrate 688.33

    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