6-Octen-1-ol, 3,7-dimethyl-, 1-benzoate

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  • Identifiers

    CAS number
    10482-77-6

    Molecular formula
    C17H24O2

    SMILES
    CC(CCC=C(C)C)CCOC(=O)C1=CC=CC=C1

  • Odor profile

    Fragrance
    Floral 89.2%
    Rose 72.66%
    Sweet 59.94%
    Balsamic 53.24%
    Lily 45.71%
    Fresh 43.56%
    Green 39.89%
    Honey 39.88%
    Waxy 39.52%
    Herbal 36.43%

     

    Flavor
    Floral 46.65%
    Green 41.94%
    Balsam 41.68%
    Herbal 38.09%
    Fruity 37.09%
    Waxy 35.2%
    Woody 31.88%
    Rose 31.79%
    Oily 28.85%
    Jasmin 27.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    7.54 (neutral)

    Molecular weight
    260.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    331°C

    Flash point

    • 144.44 ˚C est.

  • Synonyms

    • citronellyl benzoate
    • 3,7-dimethyloct-6-enyl benzoate
    • 10482-77-6
    • 6-Octen-1-ol, 3,7-dimethyl-, benzoate
    • 6-Octen-1-ol, 3,7-dimethyl-, 1-benzoate
    • EINECS 233-988-9
    • DTXSID20864282
    • Citronellyl benzoic acid
    • CITRONELLOL BENZOATE
    • SCHEMBL585939
    • DTXCID70812819
    • AKOS000621516
    • NS00012109
    • 233-988-9

  • Applications

    Chemical name: 6-Octen-1-ol, 3,7-dimethyl-, 1-benzoate (CAS 10482-77-6) is primarily used as a fragrance ingredient and odorant in perfumery, often serving as a fixative or scent component in cosmetic and personal care formulations; it may be investigated as a flavor/aroma ingredient in the food and beverage sector; it can be employed as an intermediate in fragrance synthesis and related industrial manufacturing; in household products, it contributes to the scent profile of cleaners and air fresheners; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1995.19
    methanol 1397.14
    isopropanol 1266.57
    water 0.07
    ethyl acetate 1927.95
    n-propanol 1542.24
    acetone 1392.14
    n-butanol 1379.92
    acetonitrile 1138.74
    DMF 742.42
    toluene 879.73
    isobutanol 896.13
    1,4-dioxane 1934.47
    methyl acetate 1095.57
    THF 1909.47
    2-butanone 1639.06
    n-pentanol 859.4
    sec-butanol 1304.25
    n-hexane 122.41
    ethylene glycol 35.38
    NMP 559.0
    cyclohexane 269.7
    DMSO 756.85
    n-butyl acetate 1015.9
    n-octanol 243.97
    chloroform 3068.33
    n-propyl acetate 908.15
    acetic acid 541.64
    dichloromethane 2955.81
    cyclohexanone 1712.54
    propylene glycol 148.81
    isopropyl acetate 873.98
    DMAc 861.48
    2-ethoxyethanol 789.82
    isopentanol 1018.64
    n-heptane 47.82
    ethyl formate 583.74
    1,2-dichloroethane 2089.62
    n-hexanol 801.9
    2-methoxyethanol 1153.91
    isobutyl acetate 519.46
    tetrachloromethane 242.33
    n-pentyl acetate 514.2
    transcutol 3031.34
    n-heptanol 276.71
    ethylbenzene 400.41
    MIBK 617.53
    2-propoxyethanol 934.96
    tert-butanol 1021.27
    MTBE 1442.52
    2-butoxyethanol 490.21
    propionic acid 481.04
    o-xylene 365.13
    formic acid 89.26
    diethyl ether 2218.96
    m-xylene 445.87
    p-xylene 449.82
    chlorobenzene 874.52
    dimethyl carbonate 188.25
    n-octane 22.88
    formamide 206.73
    cyclopentanone 1189.56
    2-pentanone 1397.89
    anisole 674.46
    cyclopentyl methyl ether 946.33
    gamma-butyrolactone 965.1
    1-methoxy-2-propanol 843.15
    pyridine 1646.48
    3-pentanone 858.0
    furfural 752.92
    n-dodecane 17.9
    diethylene glycol 352.38
    diisopropyl ether 356.19
    tert-amyl alcohol 1005.2
    acetylacetone 861.3
    n-hexadecane 21.23
    acetophenone 541.89
    methyl propionate 838.4
    isopentyl acetate 844.91
    trichloroethylene 3142.5
    n-nonanol 223.44
    cyclohexanol 960.72
    benzyl alcohol 488.54
    2-ethylhexanol 410.27
    isooctanol 246.96
    dipropyl ether 543.67
    1,2-dichlorobenzene 642.31
    ethyl lactate 239.26
    propylene carbonate 594.11
    n-methylformamide 394.63
    2-pentanol 940.24
    n-pentane 101.63
    1-propoxy-2-propanol 702.34
    1-methoxy-2-propyl acetate 696.19
    2-(2-methoxypropoxy) propanol 469.55
    mesitylene 233.31
    ε-caprolactone 1201.92
    p-cymene 173.28
    epichlorohydrin 1931.91
    1,1,1-trichloroethane 1456.34
    2-aminoethanol 217.54
    morpholine-4-carbaldehyde 761.53
    sulfolane 764.1
    2,2,4-trimethylpentane 59.49
    2-methyltetrahydrofuran 1888.4
    n-hexyl acetate 622.39
    isooctane 43.96
    2-(2-butoxyethoxy)ethanol 743.84
    sec-butyl acetate 625.57
    tert-butyl acetate 702.06
    decalin 93.57
    glycerin 135.72
    diglyme 1331.21
    acrylic acid 259.73
    isopropyl myristate 212.26
    n-butyric acid 1134.71
    acetyl acetate 614.78
    di(2-ethylhexyl) phthalate 185.07
    ethyl propionate 708.1
    nitromethane 905.77
    1,2-diethoxyethane 1167.24
    benzonitrile 653.02
    trioctyl phosphate 124.89
    1-bromopropane 1544.49
    gamma-valerolactone 1429.8
    n-decanol 155.41
    triethyl phosphate 197.73
    4-methyl-2-pentanol 380.36
    propionitrile 883.48
    vinylene carbonate 526.41
    1,1,2-trichlorotrifluoroethane 700.94
    DMS 396.16
    cumene 218.87
    2-octanol 200.78
    2-hexanone 852.6
    octyl acetate 261.84
    limonene 279.47
    1,2-dimethoxyethane 1322.2
    ethyl orthosilicate 207.89
    tributyl phosphate 173.47
    diacetone alcohol 618.93
    N,N-dimethylaniline 351.25
    acrylonitrile 722.38
    aniline 725.06
    1,3-propanediol 487.62
    bromobenzene 975.59
    dibromomethane 2052.2
    1,1,2,2-tetrachloroethane 2460.85
    2-methyl-cyclohexyl acetate 404.75
    tetrabutyl urea 209.86
    diisobutyl methanol 199.42
    2-phenylethanol 493.67
    styrene 510.45
    dioctyl adipate 299.98
    dimethyl sulfate 210.64
    ethyl butyrate 643.09
    methyl lactate 210.59
    butyl lactate 314.58
    diethyl carbonate 367.31
    propanediol butyl ether 382.73
    triethyl orthoformate 366.63
    p-tert-butyltoluene 159.82
    methyl 4-tert-butylbenzoate 361.33
    morpholine 2709.45
    tert-butylamine 651.14
    n-dodecanol 113.4
    dimethoxymethane 836.22
    ethylene carbonate 489.81
    cyrene 311.11
    2-ethoxyethyl acetate 681.95
    2-ethylhexyl acetate 632.07
    1,2,4-trichlorobenzene 687.54
    4-methylpyridine 1671.98
    dibutyl ether 459.1
    2,6-dimethyl-4-heptanol 199.42
    DEF 1064.78
    dimethyl isosorbide 677.48
    tetrachloroethylene 1274.85
    eugenol 374.57
    triacetin 458.54
    span 80 391.82
    1,4-butanediol 158.67
    1,1-dichloroethane 2061.06
    2-methyl-1-pentanol 731.74
    methyl formate 231.05
    2-methyl-1-butanol 1021.21
    n-decane 33.63
    butyronitrile 1257.57
    3,7-dimethyl-1-octanol 285.3
    1-chlorooctane 203.95
    1-chlorotetradecane 70.56
    n-nonane 32.16
    undecane 23.42
    tert-butylcyclohexane 80.23
    cyclooctane 56.68
    cyclopentanol 588.54
    tetrahydropyran 2973.42
    tert-amyl methyl ether 836.26
    2,5,8-trioxanonane 786.11
    1-hexene 677.45
    2-isopropoxyethanol 551.53
    2,2,2-trifluoroethanol 97.49
    methyl butyrate 959.27

    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