Tetrahydrolinalyl acetate

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  • Identifiers

    CAS number
    20780-48-7

    Molecular formula
    C12H24O2

    SMILES
    CCC(C)(CCCC(C)C)OC(=O)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 82.6%
    Fruity 66.44%
    Sweet 65.12%
    Woody 64.52%
    Fresh 63.46%
    Citrus 60.48%
    Herbal 53.03%
    Bergamot 49.46%
    Rose 48.24%
    Lavender 46.01%

     

    Flavor
    Green 52.27%
    Woody 48.9%
    Floral 40.49%
    Citrus 36.12%
    Herbal 35.69%
    Oily 32.26%
    Tropical 32.12%
    Lily 30.84%
    Fruity 30.32%
    Lavender 29.2%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    9.22 (weak base)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    215°C

    Flash point

    • 87.21 ˚C est.

  • Synonyms

    • 3,7-Dimethyloctan-3-yl acetate
    • Tetrahydrolinalyl acetate
    • 20780-48-7
    • Tetrahydro linalyl acetate
    • 3-Octanol, 3,7-dimethyl-, acetate
    • Tetrahydro lavandulyl acetate
    • UNII-2NDV3959AX
    • 2NDV3959AX
    • 3-Octanol, 3,7-dimethyl-, 3-acetate
    • DTXSID5041487
    • EINECS 244-033-0
    • AI3-36198
    • DTXCID3021487
    • SCHEMBL473499
    • CHEMBL3187619
    • Tox21_301933
    • 3-Octanol,3,7-dimethyl-,3-acetate
    • NCGC00255630-01
    • CAS-20780-48-7
    • DB-045361
    • NS00013216
    • Q27255101

  • Applications

    Tetrahydrolinalyl acetate (CAS 20780-48-7) is used primarily as a fragrance ingredient and odorant, with applications in perfumery and consumer scents. In fragrance formulation, it can function as a component and as a fixative to help extend the scent life. It is often evaluated as an intermediate in fragrance synthesis and may appear in cosmetics and personal care formulations as a fragrance ingredient. In household products such as cleaners and air fresheners, it contributes to fragrance profiles. In industrial manufacturing contexts, it may be used as a fragrance-related intermediate and formulation component for odor-control or scenting applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5271.5
    methanol 5571.34
    isopropanol 5116.56
    water 2.11
    ethyl acetate 3666.39
    n-propanol 4502.89
    acetone 3668.87
    n-butanol 4546.13
    acetonitrile 2602.73
    DMF 3096.16
    toluene 2034.18
    isobutanol 4156.19
    1,4-dioxane 5691.07
    methyl acetate 2545.69
    THF 6963.11
    2-butanone 3200.92
    n-pentanol 3285.09
    sec-butanol 4797.34
    n-hexane 2315.94
    ethylene glycol 498.13
    NMP 3125.42
    cyclohexane 2417.1
    DMSO 2172.13
    n-butyl acetate 3746.01
    n-octanol 2019.44
    chloroform 7375.28
    n-propyl acetate 2011.71
    acetic acid 2562.01
    dichloromethane 4612.06
    cyclohexanone 5453.12
    propylene glycol 1262.4
    isopropyl acetate 2766.04
    DMAc 2913.56
    2-ethoxyethanol 2049.93
    isopentanol 4336.93
    n-heptane 922.04
    ethyl formate 1753.38
    1,2-dichloroethane 2924.88
    n-hexanol 5340.77
    2-methoxyethanol 3411.64
    isobutyl acetate 1564.25
    tetrachloromethane 1487.27
    n-pentyl acetate 2108.35
    transcutol 5773.93
    n-heptanol 1784.58
    ethylbenzene 1193.01
    MIBK 2110.2
    2-propoxyethanol 4065.76
    tert-butanol 6377.55
    MTBE 6293.7
    2-butoxyethanol 1849.29
    propionic acid 2359.05
    o-xylene 1242.77
    formic acid 649.02
    diethyl ether 4634.72
    m-xylene 1459.45
    p-xylene 1630.59
    chlorobenzene 2087.91
    dimethyl carbonate 620.26
    n-octane 333.53
    formamide 638.99
    cyclopentanone 3692.32
    2-pentanone 2989.83
    anisole 1494.76
    cyclopentyl methyl ether 4186.08
    gamma-butyrolactone 3657.93
    1-methoxy-2-propanol 3137.55
    pyridine 3170.77
    3-pentanone 2110.43
    furfural 2459.31
    n-dodecane 214.77
    diethylene glycol 1796.53
    diisopropyl ether 1879.98
    tert-amyl alcohol 5638.48
    acetylacetone 2309.42
    n-hexadecane 246.59
    acetophenone 1194.66
    methyl propionate 2120.84
    isopentyl acetate 3367.41
    trichloroethylene 4535.97
    n-nonanol 1622.98
    cyclohexanol 5147.19
    benzyl alcohol 1291.12
    2-ethylhexanol 2694.8
    isooctanol 1385.38
    dipropyl ether 2435.61
    1,2-dichlorobenzene 1564.32
    ethyl lactate 685.12
    propylene carbonate 2238.85
    n-methylformamide 1494.95
    2-pentanol 3605.04
    n-pentane 1370.62
    1-propoxy-2-propanol 3155.4
    1-methoxy-2-propyl acetate 2364.78
    2-(2-methoxypropoxy) propanol 1506.03
    mesitylene 1008.02
    ε-caprolactone 4628.45
    p-cymene 754.72
    epichlorohydrin 3970.08
    1,1,1-trichloroethane 4093.88
    2-aminoethanol 1464.81
    morpholine-4-carbaldehyde 3300.86
    sulfolane 3168.4
    2,2,4-trimethylpentane 631.04
    2-methyltetrahydrofuran 6774.29
    n-hexyl acetate 3424.07
    isooctane 490.1
    2-(2-butoxyethoxy)ethanol 2250.26
    sec-butyl acetate 1729.55
    tert-butyl acetate 2936.75
    decalin 839.27
    glycerin 1076.43
    diglyme 3286.35
    acrylic acid 1290.52
    isopropyl myristate 1007.87
    n-butyric acid 4170.85
    acetyl acetate 1792.16
    di(2-ethylhexyl) phthalate 785.76
    ethyl propionate 1659.93
    nitromethane 2508.4
    1,2-diethoxyethane 2721.55
    benzonitrile 1844.1
    trioctyl phosphate 634.07
    1-bromopropane 3279.27
    gamma-valerolactone 4744.79
    n-decanol 1093.21
    triethyl phosphate 615.36
    4-methyl-2-pentanol 2112.81
    propionitrile 2563.9
    vinylene carbonate 1867.8
    1,1,2-trichlorotrifluoroethane 2510.73
    DMS 1338.23
    cumene 831.44
    2-octanol 1495.19
    2-hexanone 2369.31
    octyl acetate 1283.01
    limonene 1511.29
    1,2-dimethoxyethane 4051.34
    ethyl orthosilicate 711.35
    tributyl phosphate 780.11
    diacetone alcohol 2485.57
    N,N-dimethylaniline 1074.9
    acrylonitrile 2002.91
    aniline 1967.13
    1,3-propanediol 2149.89
    bromobenzene 2288.7
    dibromomethane 3979.45
    1,1,2,2-tetrachloroethane 4474.7
    2-methyl-cyclohexyl acetate 1529.89
    tetrabutyl urea 933.47
    diisobutyl methanol 1181.18
    2-phenylethanol 1763.78
    styrene 1352.56
    dioctyl adipate 1135.0
    dimethyl sulfate 812.54
    ethyl butyrate 1820.63
    methyl lactate 829.15
    butyl lactate 1326.23
    diethyl carbonate 938.49
    propanediol butyl ether 1837.04
    triethyl orthoformate 1204.67
    p-tert-butyltoluene 770.96
    methyl 4-tert-butylbenzoate 1225.05
    morpholine 6765.73
    tert-butylamine 4908.87
    n-dodecanol 788.92
    dimethoxymethane 2228.44
    ethylene carbonate 1939.06
    cyrene 1077.17
    2-ethoxyethyl acetate 1871.79
    2-ethylhexyl acetate 2641.14
    1,2,4-trichlorobenzene 1851.28
    4-methylpyridine 3967.9
    dibutyl ether 2502.64
    2,6-dimethyl-4-heptanol 1181.18
    DEF 2957.6
    dimethyl isosorbide 2219.41
    tetrachloroethylene 2853.7
    eugenol 1049.84
    triacetin 1616.27
    span 80 1664.47
    1,4-butanediol 887.69
    1,1-dichloroethane 4352.25
    2-methyl-1-pentanol 2992.05
    methyl formate 1045.53
    2-methyl-1-butanol 4119.66
    n-decane 424.66
    butyronitrile 3507.44
    3,7-dimethyl-1-octanol 1888.74
    1-chlorooctane 1377.41
    1-chlorotetradecane 479.02
    n-nonane 491.56
    undecane 282.68
    tert-butylcyclohexane 836.18
    cyclooctane 730.46
    cyclopentanol 4151.83
    tetrahydropyran 7855.31
    tert-amyl methyl ether 3979.77
    2,5,8-trioxanonane 2022.76
    1-hexene 4185.65
    2-isopropoxyethanol 1780.46
    2,2,2-trifluoroethanol 654.75
    methyl butyrate 2275.93

    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