Beta-Santalol

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  • Identifiers

    CAS number
    77-42-9

    Molecular formula
    C15H24O

    SMILES
    C/C(=C/CC[C@@]1([C@H]2CC[C@H](C2)C1=C)C)/CO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Woody 86.36%
    Sandalwood 60.08%
    Amber 43.54%
    Waxy 39.64%
    Dry 36.12%
    Powdery 35.6%
    Cedar 34.29%
    Vetiver 33.71%
    Balsamic 33.59%
    Sweet 33.2%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • < 25 °C

    Boiling point

    • 311.00 to 313.00 °C. @ 760.00 mm Hg

    Flash point est.
    125.28 ˚C

  • Synonyms

    • beta-SANTALOL
    • beta-Santalenol
    • 77-42-9
    • Santalol, beta-
    • cis-b-Santalol
    • .beta.-Santalol
    • cis-beta-santalol
    • UNII-1JL7K2LW6L
    • 1JL7K2LW6L
    • beta-(Z)-Santalol
    • (-)-beta-santalol
    • 2-Methyl-5-(2-methyl-3-methylene-2-norbornyl)-2-penten-1-ol
    • SANTALOL B
    • EINECS 201-027-2
    • (-)-(z)-beta-santalol
    • SANTALOL, .BETA.-
    • .BETA.-SANTALOL [MI]
    • (-)-.BETA.-SANTALOL
    • (1S-(1alpha,2alpha(Z),4alpha))-2-Methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-2-penten-1-ol
    • CHEMBL3586094
    • CHEBI:10441
    • FEMA 3006
    • DTXSID70892297
    • 12-BETA-SANTALEN-14-OL
    • (2Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidenebicyclo[2.2.1]hept-2-yl]pent-2-en-1-ol
    • FEMA NO. 3006, .BETA.-
    • .beta.-Santalol (Z)
    • 2-Penten-1-ol, 2-methyl-5-(2-methyl-3-methylene-2-norbornyl)-
    • [1S-[1alpha,2alpha(Z),4alpha]]-2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-2-penten-1-ol
    • 2-Methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-2-penten-1-ol, (1S-(1alpha,2alpha(Z(,4alpha))-
    • 2-Penten-1-ol, 2-methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-, (1S-(1alpha,2alpha(Z),4alpha))-
    • (Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
    • .beta.-(Z)-Santalol
    • 2-Penten-1-ol, 2-methyl-5-((1S,2R,4R)-2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-, (2Z)-
    • b-Santalenol
    • b-Santalol
    • (2Z)-2-methyl-5-((1S,2R,4R)-2-methyl-3-methylidenebicyclo(2.2.1)hept-2-yl)pent-2-en-1-ol
    • (Z)-2-methyl-5-((1R,3R,4S)-3-methyl-2-methylidene-3-bicyclo(2.2.1)heptanyl)pent-2-en-1-ol
    • (Z)-2-methyl-5-((1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo(2.2.1)heptanyl)pent-2-en-1-ol
    • (Z)-2-methyl-5-[(1R,3R,4S)-3-methyl-2-methylidene-3-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
    • 2-Penten-1-ol, 2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl]-, (2Z)-
    • beta-Santalol (Z)
    • SCHEMBL301322
    • DTXCID5030119
    • OJYKYCDSGQGTRJ-GQYWAMEOSA-N
    • 2-Penten-1-ol, 2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-, [1S-[1.alpha.,2.alpha.(Z),4.alpha.]]-
    • FEMA NO. 3006, BETA-
    • BDBM50633731
    • LMPR0103800003
    • Q2055416
    • (1S-(1a,2a(Z),4a))-2-Methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-2-penten-1-ol
    • (Z)-2-Methyl-5-((1S,2R,4R)-2-methyl-3-methylenebicyclo[2.2.1]heptan-2-yl)pent-2-en-1-ol

  • Applications

    Beta‑Santalol (CAS 77‑42‑9) is a major sandalwood sesquiterpene alcohol (typically about 16–25% depending on origin) widely used in perfumery and fragrance as a warm, creamy woody base note and as a fixative that boosts longevity and rounds citrus, floral, amber, and musk accords; it is alkaline-stable, making it suitable for soaps, detergents, and candles, and is also employed in cosmetics (creams, lotions, deodorants, hair care) and incense; in formulation it serves as a building block for esters such as santalyl acetate and related derivatives to diversify sandalwood tonalities; at very low levels it can contribute a subtle woody note to flavors; preclinical studies indicate anti-inflammatory, antimicrobial, and antioxidant potential supporting soothing-skin concepts (e.g., post-shave, sensitive-skin care), but use should follow IFRA standards and local safety regulations due to possible sensitization in some individuals; given sustainability concerns with natural sandalwood, natural, semi-synthetic, or fully synthetic beta‑santalol is often chosen to ensure supply security and batch-to-batch consistency.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12927.1
    methanol 9594.76
    isopropanol 13828.93
    water 8.48
    ethyl acetate 12371.51
    n-propanol 10650.3
    acetone 8098.53
    n-butanol 10244.46
    acetonitrile 5469.11
    DMF 5298.37
    toluene 2901.75
    isobutanol 7148.57
    1,4-dioxane 15918.94
    methyl acetate 5777.72
    THF 14228.03
    2-butanone 5553.0
    n-pentanol 2522.44
    sec-butanol 5532.23
    n-hexane 267.47
    ethylene glycol 802.5
    NMP 600.64
    cyclohexane 720.17
    DMSO 1975.28
    n-butyl acetate 3629.12
    n-octanol 472.37
    chloroform 6988.88
    n-propyl acetate 2578.34
    acetic acid 3027.7
    dichloromethane 4809.78
    cyclohexanone 3223.97
    propylene glycol 1434.33
    isopropyl acetate 8371.8
    DMAc 2232.1
    2-ethoxyethanol 5148.4
    isopentanol 7246.7
    n-heptane 132.46
    ethyl formate 3391.57
    1,2-dichloroethane 3883.81
    n-hexanol 3165.38
    2-methoxyethanol 13064.35
    isobutyl acetate 1556.77
    tetrachloromethane 1504.45
    n-pentyl acetate 1163.59
    transcutol 13845.76
    n-heptanol 763.69
    ethylbenzene 669.19
    MIBK 3988.2
    2-propoxyethanol 6827.07
    tert-butanol 14351.12
    MTBE 19044.7
    2-butoxyethanol 2164.85
    propionic acid 2463.31
    o-xylene 946.5
    formic acid 1202.16
    diethyl ether 20670.12
    m-xylene 1830.48
    p-xylene 723.87
    chlorobenzene 1719.91
    dimethyl carbonate 1917.62
    n-octane 44.21
    formamide 2947.94
    cyclopentanone 2978.25
    2-pentanone 6671.43
    anisole 2129.22
    cyclopentyl methyl ether 5018.19
    gamma-butyrolactone 3109.06
    1-methoxy-2-propanol 9895.57
    pyridine 4847.9
    3-pentanone 3111.25
    furfural 2278.07
    n-dodecane 26.43
    diethylene glycol 3741.19
    diisopropyl ether 4575.85
    tert-amyl alcohol 5133.79
    acetylacetone 5205.66
    n-hexadecane 31.13
    acetophenone 954.24
    methyl propionate 5214.17
    isopentyl acetate 3121.77
    trichloroethylene 4932.58
    n-nonanol 441.88
    cyclohexanol 2986.2
    benzyl alcohol 1200.32
    2-ethylhexanol 1015.55
    isooctanol 634.74
    dipropyl ether 2957.66
    1,2-dichlorobenzene 1143.3
    ethyl lactate 739.99
    propylene carbonate 1791.44
    n-methylformamide 4355.08
    2-pentanol 5641.12
    n-pentane 687.82
    1-propoxy-2-propanol 3901.35
    1-methoxy-2-propyl acetate 5168.45
    2-(2-methoxypropoxy) propanol 1401.82
    mesitylene 1036.06
    ε-caprolactone 2862.47
    p-cymene 363.23
    epichlorohydrin 5257.85
    1,1,1-trichloroethane 4093.84
    2-aminoethanol 3114.35
    morpholine-4-carbaldehyde 3104.68
    sulfolane 1166.96
    2,2,4-trimethylpentane 201.23
    2-methyltetrahydrofuran 6856.85
    n-hexyl acetate 1251.08
    isooctane 345.39
    2-(2-butoxyethoxy)ethanol 2715.16
    sec-butyl acetate 2260.37
    tert-butyl acetate 7270.22
    decalin 145.07
    glycerin 1573.33
    diglyme 5951.22
    acrylic acid 1269.71
    isopropyl myristate 444.03
    n-butyric acid 6263.21
    acetyl acetate 4110.95
    di(2-ethylhexyl) phthalate 300.18
    ethyl propionate 2435.84
    nitromethane 4942.84
    1,2-diethoxyethane 7960.59
    benzonitrile 1410.05
    trioctyl phosphate 212.53
    1-bromopropane 3438.13
    gamma-valerolactone 5016.04
    n-decanol 302.73
    triethyl phosphate 529.34
    4-methyl-2-pentanol 2945.38
    propionitrile 5377.58
    vinylene carbonate 1908.11
    1,1,2-trichlorotrifluoroethane 2194.87
    DMS 1258.91
    cumene 428.49
    2-octanol 396.12
    2-hexanone 1684.69
    octyl acetate 479.36
    limonene 502.44
    1,2-dimethoxyethane 8207.96
    ethyl orthosilicate 652.32
    tributyl phosphate 338.27
    diacetone alcohol 4303.7
    N,N-dimethylaniline 862.22
    acrylonitrile 3793.05
    aniline 3513.44
    1,3-propanediol 7359.75
    bromobenzene 1693.48
    dibromomethane 3409.66
    1,1,2,2-tetrachloroethane 4068.36
    2-methyl-cyclohexyl acetate 803.07
    tetrabutyl urea 311.87
    diisobutyl methanol 894.95
    2-phenylethanol 1517.55
    styrene 876.01
    dioctyl adipate 489.7
    dimethyl sulfate 1000.93
    ethyl butyrate 2104.6
    methyl lactate 1440.61
    butyl lactate 759.31
    diethyl carbonate 1254.21
    propanediol butyl ether 1200.51
    triethyl orthoformate 1533.38
    p-tert-butyltoluene 441.87
    methyl 4-tert-butylbenzoate 832.09
    morpholine 15885.06
    tert-butylamine 9866.43
    n-dodecanol 217.03
    dimethoxymethane 10925.74
    ethylene carbonate 2199.88
    cyrene 537.45
    2-ethoxyethyl acetate 2534.39
    2-ethylhexyl acetate 1793.83
    1,2,4-trichlorobenzene 1160.94
    4-methylpyridine 4254.4
    dibutyl ether 1312.36
    2,6-dimethyl-4-heptanol 894.95
    DEF 4024.8
    dimethyl isosorbide 1828.09
    tetrachloroethylene 2746.1
    eugenol 746.08
    triacetin 1043.22
    span 80 861.74
    1,4-butanediol 1115.46
    1,1-dichloroethane 5794.42
    2-methyl-1-pentanol 1716.46
    methyl formate 2300.6
    2-methyl-1-butanol 4806.83
    n-decane 53.37
    butyronitrile 6676.2
    3,7-dimethyl-1-octanol 748.42
    1-chlorooctane 241.8
    1-chlorotetradecane 88.35
    n-nonane 49.78
    undecane 35.62
    tert-butylcyclohexane 166.67
    cyclooctane 200.01
    cyclopentanol 2342.25
    tetrahydropyran 13880.25
    tert-amyl methyl ether 5216.36
    2,5,8-trioxanonane 2772.01
    1-hexene 1014.62
    2-isopropoxyethanol 2995.97
    2,2,2-trifluoroethanol 1073.03
    methyl butyrate 2450.92

    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

Botanical

Name CAS Botanical Proportion
Sandalwood, indian (India) 2 8006-87-9 Santalum album L., fam. Santalaceae 4.1%
Sandalwood, indian (India) 3 8006-87-9 Santalum album L., fam. Santalaceae 4.19%
Sandalwood, indian (China) 1 8006-87-9 Santalum album L., fam. Santalaceae 3.78%
Sandalwood, australian (Australia) Santalum spicatum L., fam. Santalaceae 2.0%