(7-Hydroxy-3,7-dimethylocta-1,5-dien-3-yl) acetate

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  • Identifiers

    CAS number
    41610-77-9

    Molecular formula
    C12H20O3

    SMILES
    CC(=O)OC(C)(CC=CC(C)(C)O)C=C

  • Odor profile

    Fragrance
    Floral 73.98%
    Fresh 63.06%
    Woody 61.02%
    Fruity 53.34%
    Citrus 51.62%
    Sweet 49.72%
    Bergamot 48.18%
    Lavender 40.82%
    Green 40.62%
    Herbal 40.15%

     

    Flavor
    Sweet 52.73%
    Citrus 52.07%
    Woody 50.87%
    Lavender 50.3%
    Bergamot 46.81%
    Tropical 43.25%
    Herbal 41.5%
    Fruity 38.2%
    Floral 37.39%
    Green 35.04%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    9.12 (weak base)

    Molecular weight
    212.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Flash point

    • 124.61 ˚C est.

  • Applications

    (7-Hydroxy-3,7-dimethylocta-1,5-dien-3-yl) acetate (CAS number: 41610-77-9) is used as a fragrance ingredient and odorant in the fragrance industry and may function as a fixative to extend scent in perfume formulations. In cosmetics and personal care, it is commonly used as a fragrance component in products such as creams, shampoos, and body washes to improve scent profiles. In household products, it can be used as a fragrance additive in cleaners, dish detergents, and air fresheners. In coatings, inks, and related surface finishes, it may be added as a scent additive to enhance consumer perception. In industrial manufacturing, it may serve as an intermediate for the synthesis of fragrance-related compounds; subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 787.94
    methanol 1182.87
    isopropanol 547.78
    water 17.29
    ethyl acetate 393.35
    n-propanol 494.7
    acetone 525.78
    n-butanol 425.23
    acetonitrile 273.15
    DMF 1134.58
    toluene 159.82
    isobutanol 354.75
    1,4-dioxane 720.35
    methyl acetate 411.55
    THF 1088.04
    2-butanone 369.97
    n-pentanol 305.48
    sec-butanol 433.9
    n-hexane 66.58
    ethylene glycol 183.36
    NMP 1146.88
    cyclohexane 57.88
    DMSO 538.94
    n-butyl acetate 215.06
    n-octanol 245.16
    chloroform 494.94
    n-propyl acetate 211.54
    acetic acid 722.37
    dichloromethane 379.83
    cyclohexanone 560.48
    propylene glycol 353.26
    isopropyl acetate 280.59
    DMAc 1257.27
    2-ethoxyethanol 484.71
    isopentanol 325.07
    n-heptane 36.22
    ethyl formate 298.87
    1,2-dichloroethane 215.6
    n-hexanol 381.52
    2-methoxyethanol 865.52
    isobutyl acetate 168.66
    tetrachloromethane 62.42
    n-pentyl acetate 179.94
    transcutol 1284.26
    n-heptanol 160.29
    ethylbenzene 111.29
    MIBK 246.2
    2-propoxyethanol 652.74
    tert-butanol 611.21
    MTBE 423.55
    2-butoxyethanol 291.62
    propionic acid 458.39
    o-xylene 140.09
    formic acid 440.47
    diethyl ether 361.99
    m-xylene 144.07
    p-xylene 143.51
    chlorobenzene 156.73
    dimethyl carbonate 235.76
    n-octane 18.51
    formamide 337.98
    cyclopentanone 574.38
    2-pentanone 345.09
    anisole 259.16
    cyclopentyl methyl ether 503.98
    gamma-butyrolactone 746.09
    1-methoxy-2-propanol 718.77
    pyridine 306.32
    3-pentanone 268.65
    furfural 558.97
    n-dodecane 19.99
    diethylene glycol 484.07
    diisopropyl ether 119.38
    tert-amyl alcohol 493.97
    acetylacetone 398.31
    n-hexadecane 21.69
    acetophenone 245.06
    methyl propionate 399.57
    isopentyl acetate 210.47
    trichloroethylene 393.02
    n-nonanol 212.67
    cyclohexanol 419.14
    benzyl alcohol 225.34
    2-ethylhexanol 188.49
    isooctanol 122.34
    dipropyl ether 180.28
    1,2-dichlorobenzene 143.29
    ethyl lactate 190.38
    propylene carbonate 445.72
    n-methylformamide 511.74
    2-pentanol 296.55
    n-pentane 53.65
    1-propoxy-2-propanol 380.3
    1-methoxy-2-propyl acetate 323.56
    2-(2-methoxypropoxy) propanol 365.56
    mesitylene 89.66
    ε-caprolactone 584.9
    p-cymene 69.46
    epichlorohydrin 574.82
    1,1,1-trichloroethane 223.19
    2-aminoethanol 350.66
    morpholine-4-carbaldehyde 1059.62
    sulfolane 697.02
    2,2,4-trimethylpentane 36.11
    2-methyltetrahydrofuran 673.87
    n-hexyl acetate 354.66
    isooctane 24.97
    2-(2-butoxyethoxy)ethanol 461.81
    sec-butyl acetate 178.9
    tert-butyl acetate 312.76
    decalin 45.63
    glycerin 460.08
    diglyme 668.53
    acrylic acid 345.14
    isopropyl myristate 128.86
    n-butyric acid 522.42
    acetyl acetate 274.86
    di(2-ethylhexyl) phthalate 131.74
    ethyl propionate 241.95
    nitromethane 767.76
    1,2-diethoxyethane 297.16
    benzonitrile 201.53
    trioctyl phosphate 98.59
    1-bromopropane 176.6
    gamma-valerolactone 916.66
    n-decanol 148.77
    triethyl phosphate 113.18
    4-methyl-2-pentanol 185.27
    propionitrile 239.35
    vinylene carbonate 396.82
    1,1,2-trichlorotrifluoroethane 524.29
    DMS 265.63
    cumene 93.13
    2-octanol 129.08
    2-hexanone 233.49
    octyl acetate 173.38
    limonene 112.27
    1,2-dimethoxyethane 740.52
    ethyl orthosilicate 117.28
    tributyl phosphate 127.49
    diacetone alcohol 411.23
    N,N-dimethylaniline 210.57
    acrylonitrile 242.3
    aniline 235.4
    1,3-propanediol 433.67
    bromobenzene 129.36
    dibromomethane 245.94
    1,1,2,2-tetrachloroethane 367.48
    2-methyl-cyclohexyl acetate 189.51
    tetrabutyl urea 184.67
    diisobutyl methanol 95.69
    2-phenylethanol 223.12
    styrene 113.45
    dioctyl adipate 185.89
    dimethyl sulfate 346.65
    ethyl butyrate 178.51
    methyl lactate 302.35
    butyl lactate 194.73
    diethyl carbonate 134.93
    propanediol butyl ether 402.63
    triethyl orthoformate 154.09
    p-tert-butyltoluene 74.86
    methyl 4-tert-butylbenzoate 253.65
    morpholine 884.2
    tert-butylamine 372.31
    n-dodecanol 108.53
    dimethoxymethane 711.64
    ethylene carbonate 326.06
    cyrene 319.61
    2-ethoxyethyl acetate 264.61
    2-ethylhexyl acetate 172.06
    1,2,4-trichlorobenzene 189.1
    4-methylpyridine 431.77
    dibutyl ether 203.36
    2,6-dimethyl-4-heptanol 95.69
    DEF 512.61
    dimethyl isosorbide 492.05
    tetrachloroethylene 215.68
    eugenol 238.95
    triacetin 344.44
    span 80 326.08
    1,4-butanediol 183.42
    1,1-dichloroethane 252.71
    2-methyl-1-pentanol 256.46
    methyl formate 434.58
    2-methyl-1-butanol 323.93
    n-decane 35.35
    butyronitrile 256.3
    3,7-dimethyl-1-octanol 199.41
    1-chlorooctane 115.04
    1-chlorotetradecane 49.6
    n-nonane 33.22
    undecane 25.82
    tert-butylcyclohexane 51.61
    cyclooctane 25.67
    cyclopentanol 404.32
    tetrahydropyran 616.15
    tert-amyl methyl ether 356.08
    2,5,8-trioxanonane 508.56
    1-hexene 166.86
    2-isopropoxyethanol 328.96
    2,2,2-trifluoroethanol 232.18
    methyl butyrate 295.25

    Scent© AI

1 3

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
Bergamot (Italy) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%