alpha-Linalool

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  • Identifiers

    CAS number
    598-07-2

    Molecular formula
    C10H18O

    SMILES
    CC(=C)CCCC(C)(C=C)O

    Safety labels

  • Odor profile

    Fragrance
    Floral 86.55%
    Fresh 67.44%
    Citrus 66.96%
    Woody 65.73%
    Sweet 62.76%
    Rose 59.71%
    Green 54.31%
    Herbal 42.42%
    Fruity 42.3%
    Lavender 41.78%

     

    Flavor
    Floral 62.02%
    Woody 56.52%
    Green 52.39%
    Sweet 48.62%
    Citrus 46.74%
    Herbal 40.66%
    Lavender 38.06%
    Flower 37.01%
    Tropical 36.28%
    Fresh 35.03%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.74 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    194°C

    Flash point

    • 78.43 ˚C est.

  • Synonyms

    • 3,7-Dimethyl-1,7-octadien-3-ol
    • 598-07-2
    • alpha-Linalool
    • RefChem:1076518
    • 209-915-1
    • 3,7-dimethylocta-1,7-dien-3-ol
    • .alpha.-Linalool
    • 1,7-Octadien-3-ol, 3,7-dimethyl-
    • EINECS 209-915-1
    • SCHEMBL11133217
    • DTXSID20975206
    • AKOS025295517
    • 3,7-Dimethyl-1,7-octadien-3-ol #
    • NS00043315
    • 598-07-2

  • Applications

    alpha-Linalool (CAS 598-07-2) is widely used as a fragrance ingredient and odorant in perfumery and consumer products; it is also employed as an intermediate in fragrance chemistry and as a scent component in cosmetics/personal care and household cleaners; it is commonly evaluated for use as a flavor/aroma additive in foods and beverages where permitted; in industrial manufacturing it serves as a starting material for the synthesis of other terpenoids; and it may be incorporated into coatings and inks as a fragrance additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2672.72
    methanol 2745.96
    isopropanol 1806.46
    water 7.05
    ethyl acetate 789.72
    n-propanol 1655.44
    acetone 666.87
    n-butanol 1843.04
    acetonitrile 571.99
    DMF 591.78
    toluene 245.33
    isobutanol 982.83
    1,4-dioxane 1893.66
    methyl acetate 537.16
    THF 2206.27
    2-butanone 672.96
    n-pentanol 1115.39
    sec-butanol 1348.84
    n-hexane 322.44
    ethylene glycol 277.63
    NMP 477.56
    cyclohexane 327.21
    DMSO 470.7
    n-butyl acetate 792.72
    n-octanol 644.86
    chloroform 937.58
    n-propyl acetate 451.39
    acetic acid 872.01
    dichloromethane 605.64
    cyclohexanone 759.42
    propylene glycol 547.53
    isopropyl acetate 530.28
    DMAc 582.4
    2-ethoxyethanol 1088.2
    isopentanol 1324.03
    n-heptane 342.56
    ethyl formate 431.59
    1,2-dichloroethane 351.27
    n-hexanol 1700.47
    2-methoxyethanol 1706.98
    isobutyl acetate 324.7
    tetrachloromethane 199.36
    n-pentyl acetate 406.27
    transcutol 2659.91
    n-heptanol 679.02
    ethylbenzene 151.98
    MIBK 444.72
    2-propoxyethanol 1561.65
    tert-butanol 1793.65
    MTBE 1210.49
    2-butoxyethanol 828.23
    propionic acid 609.83
    o-xylene 165.9
    formic acid 351.47
    diethyl ether 1363.63
    m-xylene 189.48
    p-xylene 199.77
    chlorobenzene 222.19
    dimethyl carbonate 116.15
    n-octane 85.47
    formamide 323.92
    cyclopentanone 626.05
    2-pentanone 697.38
    anisole 338.27
    cyclopentyl methyl ether 872.76
    gamma-butyrolactone 590.83
    1-methoxy-2-propanol 1221.94
    pyridine 586.78
    3-pentanone 386.8
    furfural 508.2
    n-dodecane 55.86
    diethylene glycol 846.2
    diisopropyl ether 394.39
    tert-amyl alcohol 1332.08
    acetylacetone 419.77
    n-hexadecane 59.41
    acetophenone 238.05
    methyl propionate 413.96
    isopentyl acetate 674.73
    trichloroethylene 525.68
    n-nonanol 537.09
    cyclohexanol 1004.45
    benzyl alcohol 287.34
    2-ethylhexanol 879.41
    isooctanol 466.67
    dipropyl ether 892.94
    1,2-dichlorobenzene 178.99
    ethyl lactate 215.96
    propylene carbonate 387.12
    n-methylformamide 422.3
    2-pentanol 1109.54
    n-pentane 325.48
    1-propoxy-2-propanol 1164.43
    1-methoxy-2-propyl acetate 601.61
    2-(2-methoxypropoxy) propanol 581.66
    mesitylene 132.5
    ε-caprolactone 730.01
    p-cymene 165.27
    epichlorohydrin 724.31
    1,1,1-trichloroethane 390.42
    2-aminoethanol 820.72
    morpholine-4-carbaldehyde 962.04
    sulfolane 414.97
    2,2,4-trimethylpentane 125.79
    2-methyltetrahydrofuran 1526.12
    n-hexyl acetate 664.7
    isooctane 105.48
    2-(2-butoxyethoxy)ethanol 948.27
    sec-butyl acetate 350.5
    tert-butyl acetate 559.44
    decalin 115.02
    glycerin 572.38
    diglyme 1338.96
    acrylic acid 347.69
    isopropyl myristate 236.94
    n-butyric acid 1179.75
    acetyl acetate 328.39
    di(2-ethylhexyl) phthalate 208.34
    ethyl propionate 345.74
    nitromethane 567.6
    1,2-diethoxyethane 958.07
    benzonitrile 307.44
    trioctyl phosphate 164.47
    1-bromopropane 498.15
    gamma-valerolactone 988.08
    n-decanol 371.57
    triethyl phosphate 192.53
    4-methyl-2-pentanol 602.31
    propionitrile 603.3
    vinylene carbonate 313.73
    1,1,2-trichlorotrifluoroethane 491.82
    DMS 234.39
    cumene 122.19
    2-octanol 413.7
    2-hexanone 523.41
    octyl acetate 310.8
    limonene 311.21
    1,2-dimethoxyethane 1418.55
    ethyl orthosilicate 232.63
    tributyl phosphate 200.85
    diacetone alcohol 613.58
    N,N-dimethylaniline 231.35
    acrylonitrile 400.02
    aniline 405.84
    1,3-propanediol 1185.13
    bromobenzene 192.75
    dibromomethane 503.22
    1,1,2,2-tetrachloroethane 493.46
    2-methyl-cyclohexyl acetate 396.5
    tetrabutyl urea 245.77
    diisobutyl methanol 385.68
    2-phenylethanol 433.94
    styrene 174.94
    dioctyl adipate 292.54
    dimethyl sulfate 118.65
    ethyl butyrate 510.27
    methyl lactate 252.74
    butyl lactate 318.5
    diethyl carbonate 274.85
    propanediol butyl ether 713.92
    triethyl orthoformate 420.79
    p-tert-butyltoluene 171.0
    methyl 4-tert-butylbenzoate 302.96
    morpholine 2237.26
    tert-butylamine 1297.43
    n-dodecanol 273.42
    dimethoxymethane 646.63
    ethylene carbonate 341.33
    cyrene 327.66
    2-ethoxyethyl acetate 449.32
    2-ethylhexyl acetate 537.67
    1,2,4-trichlorobenzene 213.03
    4-methylpyridine 592.5
    dibutyl ether 655.51
    2,6-dimethyl-4-heptanol 385.68
    DEF 635.16
    dimethyl isosorbide 691.96
    tetrachloroethylene 378.74
    eugenol 303.88
    triacetin 381.44
    span 80 624.29
    1,4-butanediol 401.67
    1,1-dichloroethane 469.97
    2-methyl-1-pentanol 818.21
    methyl formate 228.76
    2-methyl-1-butanol 1060.57
    n-decane 112.38
    butyronitrile 854.41
    3,7-dimethyl-1-octanol 548.53
    1-chlorooctane 278.07
    1-chlorotetradecane 108.36
    n-nonane 116.46
    undecane 73.91
    tert-butylcyclohexane 126.85
    cyclooctane 122.04
    cyclopentanol 784.15
    tetrahydropyran 1910.92
    tert-amyl methyl ether 818.87
    2,5,8-trioxanonane 832.01
    1-hexene 678.7
    2-isopropoxyethanol 721.98
    2,2,2-trifluoroethanol 172.19
    methyl butyrate 457.64

    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