Santalyl acetate

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  • Identifiers

    Molecular formula
    C34H52O4

    SMILES
    C/C(=C/CC[C@@]1([C@H]2CC[C@H](C2)C1=C)C)/COC(=O)C.C/C(=C/CC[C@@]1(C2C[C@@H]3C1(C3C2)C)C)/COC(=O)C

  • Odor profile

    Fragrance
    Woody 86.95%
    Floral 56.22%
    Violet 46.24%
    Green 44.38%
    Sweet 43.49%
    Sandalwood 43.21%
    Powdery 42.12%
    Amber 38.25%
    Dry 38.06%
    Orris 37.93%

     

    Flavor
    Woody 63.04%
    Sweet 38.75%
    Wood 34.36%
    Floral 30.84%
    Balsam 28.89%
    Herbal 26.6%
    Fruity 24.08%
    Balsamic 23.66%
    Rose 23.62%
    Violet 22.61%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    8.15 (weak base)

    Molecular weight
    524.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    346°C

    Flash point

    • 133.41 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • FEMA No. 3007
    • EINECS 215-349-6
    • NI0P5374LY
    • [2-Methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] acetate
    • [(Z)-5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-enyl] acetate;[(Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-enyl] acetate
    • UNII-NI0P5374LY
    • SANTALYL ACETATE [FCC]
    • DTXSID501014562
    • SANTALYL ACETATE ALPHA-AND BETA-
    • SANTALYL ACETATE (ALPHA AND BETA)
    • SANTALYL ACETATE (.ALPHA. AND .BETA.)
    • SANTALYL ACETATE .ALPHA.-AND .BETA.-[FHFI]
    • 215-349-6
    • MIXTURE OF 2-METHYL-5-(2,3-DIMETHYLTRICYCLO(2.2.1.0(2.6))HEPT-3-YL)PENT-2-ENYL ACETATE AND 2-METHYL-5-(2-METHYL-3-METHYENEBICYCLO(2.2.1)HEPT-2-YL)PENT-2-ENYL ACETATE

  • Applications

    Santalyl acetate is primarily used in perfumery and fragrance applications with sandalwood notes, typically as a fragrance ingredient and can function as a fixative; in cosmetics and personal care it is included as a fragrance component in products such as perfumes, lotions, and body washes; in household products it is used to impart warm woody notes in items like air fresheners and cleaners; it may be used in limited flavor formulations under regulatory controls; and it is sometimes employed as an intermediate in fragrance synthesis for industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5244.98
    methanol 3725.07
    isopropanol 5765.59
    water 1.33
    ethyl acetate 5156.59
    n-propanol 4575.93
    acetone 3294.66
    n-butanol 3828.92
    acetonitrile 1972.75
    DMF 2790.58
    toluene 2108.02
    isobutanol 3049.53
    1,4-dioxane 8840.26
    methyl acetate 2937.13
    THF 8373.47
    2-butanone 3041.75
    n-pentanol 1472.11
    sec-butanol 3043.96
    n-hexane 80.72
    ethylene glycol 274.45
    NMP 609.04
    cyclohexane 271.38
    DMSO 1124.74
    n-butyl acetate 1477.68
    n-octanol 263.84
    chloroform 6398.11
    n-propyl acetate 1539.15
    acetic acid 1192.96
    dichloromethane 4302.42
    cyclohexanone 2182.42
    propylene glycol 751.3
    isopropyl acetate 3668.56
    DMAc 2068.31
    2-ethoxyethanol 3190.59
    isopentanol 3012.1
    n-heptane 30.79
    ethyl formate 1394.74
    1,2-dichloroethane 2750.27
    n-hexanol 1331.45
    2-methoxyethanol 5502.22
    isobutyl acetate 1069.3
    tetrachloromethane 702.84
    n-pentyl acetate 652.46
    transcutol 8064.97
    n-heptanol 364.5
    ethylbenzene 615.9
    MIBK 1746.88
    2-propoxyethanol 3321.72
    tert-butanol 5275.17
    MTBE 6518.2
    2-butoxyethanol 1134.32
    propionic acid 1081.5
    o-xylene 760.97
    formic acid 390.64
    diethyl ether 6615.13
    m-xylene 1120.04
    p-xylene 698.29
    chlorobenzene 1426.25
    dimethyl carbonate 1012.4
    n-octane 13.68
    formamide 966.56
    cyclopentanone 2057.11
    2-pentanone 2842.98
    anisole 1831.28
    cyclopentyl methyl ether 2673.82
    gamma-butyrolactone 1927.0
    1-methoxy-2-propanol 5034.06
    pyridine 3215.86
    3-pentanone 1667.42
    furfural 1736.78
    n-dodecane 11.73
    diethylene glycol 1905.61
    diisopropyl ether 1311.23
    tert-amyl alcohol 2662.84
    acetylacetone 2620.88
    n-hexadecane 14.36
    acetophenone 963.97
    methyl propionate 2475.31
    isopentyl acetate 1499.38
    trichloroethylene 4200.17
    n-nonanol 259.89
    cyclohexanol 1733.97
    benzyl alcohol 1083.61
    2-ethylhexanol 448.99
    isooctanol 309.24
    dipropyl ether 846.53
    1,2-dichlorobenzene 990.26
    ethyl lactate 535.85
    propylene carbonate 1287.17
    n-methylformamide 1632.0
    2-pentanol 2302.74
    n-pentane 163.38
    1-propoxy-2-propanol 1840.95
    1-methoxy-2-propyl acetate 2656.26
    2-(2-methoxypropoxy) propanol 994.81
    mesitylene 563.78
    ε-caprolactone 2071.08
    p-cymene 213.52
    epichlorohydrin 4115.87
    1,1,1-trichloroethane 2689.86
    2-aminoethanol 1250.72
    morpholine-4-carbaldehyde 2510.62
    sulfolane 911.42
    2,2,4-trimethylpentane 75.67
    2-methyltetrahydrofuran 4576.12
    n-hexyl acetate 803.1
    isooctane 84.11
    2-(2-butoxyethoxy)ethanol 1760.29
    sec-butyl acetate 1509.09
    tert-butyl acetate 2902.54
    decalin 86.85
    glycerin 782.11
    diglyme 3395.75
    acrylic acid 566.21
    isopropyl myristate 298.41
    n-butyric acid 2585.08
    acetyl acetate 1897.74
    di(2-ethylhexyl) phthalate 232.31
    ethyl propionate 1499.64
    nitromethane 2085.82
    1,2-diethoxyethane 3100.8
    benzonitrile 1095.74
    trioctyl phosphate 145.12
    1-bromopropane 2129.06
    gamma-valerolactone 3604.23
    n-decanol 181.63
    triethyl phosphate 319.56
    4-methyl-2-pentanol 1242.13
    propionitrile 2109.76
    vinylene carbonate 1217.54
    1,1,2-trichlorotrifluoroethane 1647.52
    DMS 922.34
    cumene 355.26
    2-octanol 223.55
    2-hexanone 1120.42
    octyl acetate 336.13
    limonene 281.12
    1,2-dimethoxyethane 4876.79
    ethyl orthosilicate 358.03
    tributyl phosphate 214.52
    diacetone alcohol 2257.71
    N,N-dimethylaniline 761.68
    acrylonitrile 1747.11
    aniline 2177.19
    1,3-propanediol 2725.35
    bromobenzene 1468.38
    dibromomethane 2703.34
    1,1,2,2-tetrachloroethane 3653.43
    2-methyl-cyclohexyl acetate 560.93
    tetrabutyl urea 229.72
    diisobutyl methanol 337.23
    2-phenylethanol 996.53
    styrene 812.81
    dioctyl adipate 362.12
    dimethyl sulfate 733.31
    ethyl butyrate 948.13
    methyl lactate 864.68
    butyl lactate 491.01
    diethyl carbonate 631.01
    propanediol butyl ether 795.34
    triethyl orthoformate 690.13
    p-tert-butyltoluene 240.6
    methyl 4-tert-butylbenzoate 597.34
    morpholine 10139.42
    tert-butylamine 3061.9
    n-dodecanol 132.32
    dimethoxymethane 4766.26
    ethylene carbonate 1332.89
    cyrene 506.55
    2-ethoxyethyl acetate 1510.18
    2-ethylhexyl acetate 950.54
    1,2,4-trichlorobenzene 1134.91
    4-methylpyridine 3191.52
    dibutyl ether 570.42
    2,6-dimethyl-4-heptanol 337.23
    DEF 2079.18
    dimethyl isosorbide 1282.66
    tetrachloroethylene 1857.39
    eugenol 603.95
    triacetin 820.21
    span 80 630.23
    1,4-butanediol 666.88
    1,1-dichloroethane 3806.07
    2-methyl-1-pentanol 1169.41
    methyl formate 882.98
    2-methyl-1-butanol 2158.16
    n-decane 22.28
    butyronitrile 2504.54
    3,7-dimethyl-1-octanol 421.07
    1-chlorooctane 144.73
    1-chlorotetradecane 52.97
    n-nonane 18.64
    undecane 15.48
    tert-butylcyclohexane 87.52
    cyclooctane 65.51
    cyclopentanol 1533.61
    tetrahydropyran 7516.73
    tert-amyl methyl ether 2405.65
    2,5,8-trioxanonane 1835.09
    1-hexene 472.63
    2-isopropoxyethanol 2027.65
    2,2,2-trifluoroethanol 499.59
    methyl butyrate 1594.66

    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