Linalyl benzoate

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  • Identifiers

    CAS number
    126-64-7

    Molecular formula
    C17H22O2

    SMILES
    CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 81.56%
    Sweet 63.37%
    Fruity 55.21%
    Balsamic 54.38%
    Herbal 53.84%
    Rose 52.03%
    Fresh 48.81%
    Woody 48.15%
    Citrus 43.96%
    Green 42.02%

     

    Flavor
    Bergamot 42.29%
    Fruity 38.75%
    Herbal 35.53%
    Woody 35.01%
    Bitter 31.44%
    Rose 29.49%
    Green 28.15%
    Sweet 26.97%
    Balsam 24.38%
    Floral 24.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    7.53 (neutral)

    Molecular weight
    258.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 263.00 °C. @ 760.00 mm Hg

    Flash point

    • 143.58 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • Linalyl benzoate
    • 126-64-7
    • Linalool, benzoate
    • Linalol benzoate
    • Benzoic acid linalool ester
    • BENZOIC ACID, LINALYL ESTER
    • FEMA No. 2638
    • 3,7-dimethylocta-1,6-dien-3-yl benzoate
    • 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-benzoate
    • 1,6-Octadien-3-ol, 3,7-dimethyl-, benzoate
    • 3,7-Dimethyl-1,6-octadien-3-yl benzoate
    • 1,5-Dimethyl-1-vinyl-4-hexen-1-yl benzoate
    • EINECS 204-796-2
    • 2ADP7IT9Y3
    • NSC 71926
    • 4-Hexen-1-ol, 1,5-dimethyl-1-vinyl-, benzoate
    • DTXSID2047191
    • AI3-24279
    • NSC-71926
    • LINALYL BENZOATE [FCC]
    • LINALYL BENZOATE [FHFI]
    • DTXCID0027191
    • Linalylbenzoate
    • 3,7-DIMETHYL-1,6-OCTADIEN-3-OL BENZOATE
    • UNII-2ADP7IT9Y3
    • (RS)-linalyl benzoate
    • Linalyl benzoate, >=95%
    • 3,6-octadien-3-yl benzoate
    • SCHEMBL309150
    • 1, 3,7-dimethyl-, benzoate
    • LINALYL BENZOATE [INCI]
    • CHEMBL3185292
    • FEMA 2638
    • CHEBI:172501
    • NSC71926
    • Tox21_302668
    • MFCD00048302
    • WLN: 1Y1&U3X1&1U1&OVR
    • AKOS025294242
    • NCGC00256750-01
    • CAS-126-64-7
    • DB-007616
    • 3,7-Dimethyl-1, 6-octadien-3-yl benzoate
    • NS00012791
    • 4-Hexen-1-ol,5-dimethyl-1-vinyl-, benzoate
    • 1,6-Octadien-3-ol,3,7-dimethyl-,3-benzoate
    • G84026
    • 1, 6-Octadien-3-ol, 3,7-dimethyl-, benzoate
    • Q27254478
    • 204-796-2

  • Applications

    Linalyl benzoate (CAS 126-64-7) is primarily used as a fragrance ingredient in perfumery and cosmetics, where it functions as an odorant and a fixative to extend fragrance longevity. It is also employed in household care products and cleaners to impart a light floral aroma, and may be added to coatings and inks as a fragrance additive. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 927.97
    methanol 723.59
    isopropanol 580.29
    water 0.05
    ethyl acetate 1014.47
    n-propanol 767.19
    acetone 442.87
    n-butanol 784.58
    acetonitrile 345.18
    DMF 485.51
    toluene 760.89
    isobutanol 529.42
    1,4-dioxane 1244.73
    methyl acetate 621.66
    THF 1493.15
    2-butanone 840.72
    n-pentanol 579.86
    sec-butanol 895.44
    n-hexane 135.59
    ethylene glycol 20.57
    NMP 451.38
    cyclohexane 216.66
    DMSO 348.45
    n-butyl acetate 773.34
    n-octanol 256.74
    chloroform 1933.69
    n-propyl acetate 508.03
    acetic acid 243.04
    dichloromethane 1613.41
    cyclohexanone 944.86
    propylene glycol 93.14
    isopropyl acetate 595.82
    DMAc 838.44
    2-ethoxyethanol 449.88
    isopentanol 703.15
    n-heptane 63.08
    ethyl formate 293.8
    1,2-dichloroethane 1027.19
    n-hexanol 718.33
    2-methoxyethanol 599.92
    isobutyl acetate 386.5
    tetrachloromethane 140.73
    n-pentyl acetate 383.54
    transcutol 1964.26
    n-heptanol 256.9
    ethylbenzene 441.57
    MIBK 459.56
    2-propoxyethanol 730.28
    tert-butanol 673.99
    MTBE 1032.1
    2-butoxyethanol 372.95
    propionic acid 245.97
    o-xylene 345.94
    formic acid 51.53
    diethyl ether 1199.72
    m-xylene 405.3
    p-xylene 482.39
    chlorobenzene 613.71
    dimethyl carbonate 154.7
    n-octane 29.23
    formamide 105.42
    cyclopentanone 670.34
    2-pentanone 674.13
    anisole 665.49
    cyclopentyl methyl ether 717.52
    gamma-butyrolactone 573.77
    1-methoxy-2-propanol 562.79
    pyridine 1067.24
    3-pentanone 524.64
    furfural 474.17
    n-dodecane 27.65
    diethylene glycol 269.11
    diisopropyl ether 298.62
    tert-amyl alcohol 869.58
    acetylacetone 514.04
    n-hexadecane 32.38
    acetophenone 473.88
    methyl propionate 524.32
    isopentyl acetate 724.45
    trichloroethylene 1634.97
    n-nonanol 242.68
    cyclohexanol 598.64
    benzyl alcohol 407.45
    2-ethylhexanol 418.28
    isooctanol 223.76
    dipropyl ether 446.14
    1,2-dichlorobenzene 514.18
    ethyl lactate 164.55
    propylene carbonate 398.29
    n-methylformamide 187.43
    2-pentanol 612.81
    n-pentane 96.97
    1-propoxy-2-propanol 535.69
    1-methoxy-2-propyl acetate 598.16
    2-(2-methoxypropoxy) propanol 452.37
    mesitylene 218.47
    ε-caprolactone 778.74
    p-cymene 184.17
    epichlorohydrin 1115.48
    1,1,1-trichloroethane 829.22
    2-aminoethanol 125.07
    morpholine-4-carbaldehyde 605.75
    sulfolane 484.57
    2,2,4-trimethylpentane 68.32
    2-methyltetrahydrofuran 1336.89
    n-hexyl acetate 567.59
    isooctane 50.58
    2-(2-butoxyethoxy)ethanol 638.53
    sec-butyl acetate 462.21
    tert-butyl acetate 558.95
    decalin 113.57
    glycerin 96.53
    diglyme 994.51
    acrylic acid 139.81
    isopropyl myristate 231.01
    n-butyric acid 543.27
    acetyl acetate 403.76
    di(2-ethylhexyl) phthalate 200.81
    ethyl propionate 471.45
    nitromethane 359.63
    1,2-diethoxyethane 849.29
    benzonitrile 442.73
    trioctyl phosphate 131.1
    1-bromopropane 940.62
    gamma-valerolactone 829.77
    n-decanol 177.98
    triethyl phosphate 186.98
    4-methyl-2-pentanol 325.84
    propionitrile 436.11
    vinylene carbonate 344.9
    1,1,2-trichlorotrifluoroethane 422.67
    DMS 354.69
    cumene 250.45
    2-octanol 194.88
    2-hexanone 535.9
    octyl acetate 280.96
    limonene 287.98
    1,2-dimethoxyethane 886.71
    ethyl orthosilicate 199.83
    tributyl phosphate 182.03
    diacetone alcohol 487.81
    N,N-dimethylaniline 407.79
    acrylonitrile 342.85
    aniline 491.43
    1,3-propanediol 265.45
    bromobenzene 704.91
    dibromomethane 1176.51
    1,1,2,2-tetrachloroethane 1429.79
    2-methyl-cyclohexyl acetate 400.06
    tetrabutyl urea 223.03
    diisobutyl methanol 195.62
    2-phenylethanol 477.43
    styrene 524.55
    dioctyl adipate 307.71
    dimethyl sulfate 158.65
    ethyl butyrate 499.17
    methyl lactate 147.82
    butyl lactate 246.42
    diethyl carbonate 310.95
    propanediol butyl ether 301.52
    triethyl orthoformate 315.01
    p-tert-butyltoluene 177.13
    methyl 4-tert-butylbenzoate 366.92
    morpholine 1605.66
    tert-butylamine 473.87
    n-dodecanol 131.59
    dimethoxymethane 547.21
    ethylene carbonate 317.75
    cyrene 281.66
    2-ethoxyethyl acetate 498.31
    2-ethylhexyl acetate 585.98
    1,2,4-trichlorobenzene 549.34
    4-methylpyridine 1165.45
    dibutyl ether 426.58
    2,6-dimethyl-4-heptanol 195.62
    DEF 688.67
    dimethyl isosorbide 676.15
    tetrachloroethylene 719.11
    eugenol 341.93
    triacetin 409.02
    span 80 387.17
    1,4-butanediol 94.88
    1,1-dichloroethane 988.34
    2-methyl-1-pentanol 628.68
    methyl formate 121.16
    2-methyl-1-butanol 745.6
    n-decane 46.78
    butyronitrile 614.59
    3,7-dimethyl-1-octanol 330.81
    1-chlorooctane 219.48
    1-chlorotetradecane 91.38
    n-nonane 43.11
    undecane 34.81
    tert-butylcyclohexane 104.15
    cyclooctane 57.53
    cyclopentanol 382.99
    tetrahydropyran 1763.17
    tert-amyl methyl ether 777.54
    2,5,8-trioxanonane 672.13
    1-hexene 564.32
    2-isopropoxyethanol 375.99
    2,2,2-trifluoroethanol 47.87
    methyl butyrate 582.06

    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