alpha-Santalol acetate

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  • Identifiers

    CAS number
    41414-75-9

    Molecular formula
    C17H26O2

    SMILES
    C/C(=C/CC[C@@]1(C2C[C@H]3C1([C@H]3C2)C)C)/COC(=O)C

  • Odor profile

    Fragrance
    Woody 90.17%
    Sandalwood 54.97%
    Floral 49.95%
    Powdery 46.03%
    Amber 45.86%
    Vetiver 42.24%
    Violet 41.66%
    Cedar 40.32%
    Dry 39.56%
    Balsamic 37.78%

     

    Flavor
    Woody 67.13%
    Sweet 43.38%
    Balsam 34.8%
    Wood 33.8%
    Herbal 31.0%
    Pine 29.74%
    Camphor 24.9%
    Balsamic 23.64%
    Ionone 23.57%
    Sandalwood 22.88%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.71 (neutral)

    Molecular weight
    262.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    341°C

    Flash point

    • 91.04 ˚C est.

  • Synonyms

    • alpha-Santalol acetate
    • alpha-Santalyl acetate
    • (Z)-alpha-Santalol acetate
    • 41414-75-9
    • UNII-X7GK783K17
    • X7GK783K17
    • .alpha.-Santalol acetate
    • (+)-alpha-Santalyl acetate
    • SANTALOL ACETATE, .ALPHA.-
    • SANTALYL ACETATE, .ALPHA.-
    • (+)-.ALPHA.-SANTALYL ACETATE
    • FEMA NO. 3007, .ALPHA.-
    • 2-Penten-1-ol, 5-(2,3-dimethyltricyclo(2.2.1.0(sup 2,6))hept-3-yl)-2-methyl-, acetate, stereoisomer
    • 2-PENTEN-1-OL, 5-((1R,3R,4S)-1,2-DIMETHYL-1-CYCLOHEXYL)-2-METHYL-, 1-ACETATE, (2Z)-
    • I+/--Santalol acetate
    • SANTALOL ACETATE, ALPHA-
    • SANTALYL ACETATE, ALPHA-
    • CHEBI:177267
    • DTXSID001315931
    • FEMA NO. 3007, ALPHA-
    • Q27293640
    • [(Z)-5-[(1R,3R,6S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-enyl] acetate

  • Applications

    alpha-Santalol acetate (CAS 41414-75-9) is primarily used in fragrance applications, contributing sandalwood-like notes and often acting as a fixative to enhance scent longevity in perfumery; it is commonly formulated into cosmetics and personal care products to impart a woody, creamy aroma, and into household products such as air fresheners and cleaners for a sandalwood profile. It may also be used as an aroma chemical or odorant in coatings, inks, and polymers/plastics to contribute odor signatures in various molded articles. Additionally, it can serve as an intermediate in fragrance synthesis, enabling the development of more complex sandalwood-inspired materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1033.9
    methanol 696.9
    isopropanol 1062.97
    water 1.58
    ethyl acetate 1301.89
    n-propanol 871.09
    acetone 1015.58
    n-butanol 729.16
    acetonitrile 686.6
    DMF 863.0
    toluene 603.86
    isobutanol 581.67
    1,4-dioxane 2540.28
    methyl acetate 915.49
    THF 2190.37
    2-butanone 803.02
    n-pentanol 309.45
    sec-butanol 589.46
    n-hexane 27.25
    ethylene glycol 158.62
    NMP 206.84
    cyclohexane 91.31
    DMSO 429.98
    n-butyl acetate 421.27
    n-octanol 83.1
    chloroform 2024.92
    n-propyl acetate 460.4
    acetic acid 485.04
    dichloromethane 1237.44
    cyclohexanone 644.42
    propylene glycol 282.65
    isopropyl acetate 969.68
    DMAc 678.68
    2-ethoxyethanol 939.85
    isopentanol 581.6
    n-heptane 14.25
    ethyl formate 379.28
    1,2-dichloroethane 780.04
    n-hexanol 320.04
    2-methoxyethanol 1560.68
    isobutyl acetate 330.74
    tetrachloromethane 258.53
    n-pentyl acetate 195.77
    transcutol 2237.8
    n-heptanol 114.31
    ethylbenzene 231.89
    MIBK 532.07
    2-propoxyethanol 1027.21
    tert-butanol 1027.48
    MTBE 1296.9
    2-butoxyethanol 417.84
    propionic acid 367.5
    o-xylene 266.69
    formic acid 206.68
    diethyl ether 1360.74
    m-xylene 342.27
    p-xylene 305.77
    chlorobenzene 461.55
    dimethyl carbonate 419.31
    n-octane 6.58
    formamide 524.68
    cyclopentanone 638.51
    2-pentanone 725.73
    anisole 705.07
    cyclopentyl methyl ether 652.48
    gamma-butyrolactone 663.6
    1-methoxy-2-propanol 1432.38
    pyridine 1037.54
    3-pentanone 528.15
    furfural 613.55
    n-dodecane 5.35
    diethylene glycol 761.82
    diisopropyl ether 382.23
    tert-amyl alcohol 550.39
    acetylacetone 1026.58
    n-hexadecane 6.44
    acetophenone 388.67
    methyl propionate 744.44
    isopentyl acetate 431.88
    trichloroethylene 1381.81
    n-nonanol 87.62
    cyclohexanol 389.79
    benzyl alcohol 372.61
    2-ethylhexanol 129.72
    isooctanol 99.06
    dipropyl ether 248.67
    1,2-dichlorobenzene 370.8
    ethyl lactate 216.49
    propylene carbonate 417.01
    n-methylformamide 512.69
    2-pentanol 462.96
    n-pentane 47.46
    1-propoxy-2-propanol 545.68
    1-methoxy-2-propyl acetate 907.91
    2-(2-methoxypropoxy) propanol 404.49
    mesitylene 208.37
    ε-caprolactone 582.19
    p-cymene 88.69
    epichlorohydrin 1225.45
    1,1,1-trichloroethane 850.38
    2-aminoethanol 437.77
    morpholine-4-carbaldehyde 864.66
    sulfolane 335.08
    2,2,4-trimethylpentane 25.03
    2-methyltetrahydrofuran 1044.08
    n-hexyl acetate 240.98
    isooctane 28.26
    2-(2-butoxyethoxy)ethanol 589.83
    sec-butyl acetate 468.36
    tert-butyl acetate 875.33
    decalin 35.62
    glycerin 336.88
    diglyme 1227.78
    acrylic acid 281.54
    isopropyl myristate 110.33
    n-butyric acid 634.23
    acetyl acetate 775.41
    di(2-ethylhexyl) phthalate 98.36
    ethyl propionate 490.69
    nitromethane 941.22
    1,2-diethoxyethane 776.29
    benzonitrile 365.18
    trioctyl phosphate 57.45
    1-bromopropane 475.28
    gamma-valerolactone 1223.4
    n-decanol 63.21
    triethyl phosphate 141.58
    4-methyl-2-pentanol 318.56
    propionitrile 561.89
    vinylene carbonate 465.65
    1,1,2-trichlorotrifluoroethane 720.13
    DMS 411.59
    cumene 142.79
    2-octanol 69.13
    2-hexanone 339.14
    octyl acetate 119.76
    limonene 99.47
    1,2-dimethoxyethane 1385.2
    ethyl orthosilicate 150.79
    tributyl phosphate 75.87
    diacetone alcohol 684.4
    N,N-dimethylaniline 308.73
    acrylonitrile 577.44
    aniline 663.09
    1,3-propanediol 794.79
    bromobenzene 484.44
    dibromomethane 764.95
    1,1,2,2-tetrachloroethane 1148.96
    2-methyl-cyclohexyl acetate 216.74
    tetrabutyl urea 83.58
    diisobutyl methanol 111.06
    2-phenylethanol 382.0
    styrene 280.98
    dioctyl adipate 142.77
    dimethyl sulfate 342.36
    ethyl butyrate 317.38
    methyl lactate 337.33
    butyl lactate 163.06
    diethyl carbonate 240.61
    propanediol butyl ether 283.88
    triethyl orthoformate 256.2
    p-tert-butyltoluene 97.42
    methyl 4-tert-butylbenzoate 258.01
    morpholine 2439.2
    tert-butylamine 573.85
    n-dodecanol 47.78
    dimethoxymethane 1415.28
    ethylene carbonate 477.63
    cyrene 230.74
    2-ethoxyethyl acetate 516.54
    2-ethylhexyl acetate 293.4
    1,2,4-trichlorobenzene 433.34
    4-methylpyridine 895.7
    dibutyl ether 152.89
    2,6-dimethyl-4-heptanol 111.06
    DEF 530.93
    dimethyl isosorbide 475.65
    tetrachloroethylene 662.72
    eugenol 263.66
    triacetin 347.63
    span 80 246.44
    1,4-butanediol 214.66
    1,1-dichloroethane 1016.56
    2-methyl-1-pentanol 265.13
    methyl formate 325.1
    2-methyl-1-butanol 445.55
    n-decane 9.54
    butyronitrile 531.98
    3,7-dimethyl-1-octanol 123.13
    1-chlorooctane 49.45
    1-chlorotetradecane 21.83
    n-nonane 8.09
    undecane 6.8
    tert-butylcyclohexane 31.13
    cyclooctane 27.2
    cyclopentanol 357.55
    tetrahydropyran 1650.59
    tert-amyl methyl ether 596.26
    2,5,8-trioxanonane 705.62
    1-hexene 118.68
    2-isopropoxyethanol 616.72
    2,2,2-trifluoroethanol 269.59
    methyl butyrate 450.49

    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