alpha-Santalol

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  • Identifiers

    CAS number
    115-71-9

    Molecular formula
    C15H24O

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1676.5

  • Odor profile

    Woody 90.8%
    Sandalwood 69.18%
    Amber 51.36%
    Vetiver 39.65%
    Cedar 39.07%
    Dry 38.63%
    Powdery 38.23%
    Waxy 36.52%
    Balsamic 35.04%
    Musk 32.62%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 166-167 °C @ 14 MM HG

    Flash point est.
    83.66 ˚C

    Flash point expt.

    • Flash point > 100 °C
    • GREATER THAN 212 °F CC

    Solubility expt.

    • SOL IN ALC; PRACTICALLY INSOL IN WATER /BETA-SANTALOL/
    • SOL IN ALC; SLIGHTLY SOL IN PROPYLENE GLYCOL, GLYCERINE
    • PRACTICALLY INSOL IN WATER

  • Synonyms

    • 115-71-9
    • ALPHA-SANTALOL
    • (Z)-alpha-Santalol
    • 2-Penten-1-ol, 5-[(1R,3R,6S)-2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl]-2-methyl-, (2Z)-
    • cis-.alpha.-Santalol
    • (+)-.alpha.-Santalol
    • 15X09F2755
    • (Z)-5-[(1S,3R,6R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol
    • .alpha.-Santalol
    • Argeol
    • Arheol
    • 2-Penten-1-ol, 5-((1R,3R,6S)-2,3-dimethyltricyclo(2.2.1.02,6)hept-3-yl)-2-methyl-, (2Z)-
    • HSDB 3421
    • Santalol, alpha-
    • UNII-15X09F2755
    • EINECS 204-102-8
    • .ALPHA.-SANTLOL
    • SANTALOL, .ALPHA.
    • SANTALOL, .ALPHA.-
    • ALPHA-SANTALOL [HSDB]
    • CHEMBL512210
    • .ALPHA.-SANTALOL [MI]
    • DTXSID9051587
    • 12-ALPHA-SANTALEN-14-OL
    • 2-Penten-1-ol, 5-(2,3-dimethyltricyclo(2.2.1.0(2,6))hept-3-yl)-2-m
    • 5-(2,3-Dimethyltricyclo(2.2.1.0(2,6))hept-3-yl)-2-methyl-2-penten-1-ol
    • 2-Penten-1-ol, 5-(2,3-dimethyltricyclo(2.2.1.0(sup 2,6))hept-3-yl)-2-methyl
    • 2-Penten-1-ol, 5-(2,3-dimethyltricyclo(2.2.1.02,6)hept-3-yl)-2-methyl-, stereoisomer
    • 5-(2,3-Dimethyltricyclo(2.2.1.02,6)hept-3-yl)-2-methyl-2-penten-1-ol stereoisomer
    • FEMA NO. 3006, .ALPHA.-
    • NS00013186
    • Q10859742
    • 5-(2,3-Dimethyltricyclo(2.2.1.02,6)hept-3-yl)-2-methylpent-2-en-1-ol, stereoisomer
    • (Z)-5-[(1R,3R,6S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol
    • 2-Penten-1-ol, 5-(2,3-dimethyltricyclo(2.2.1.0(sup 2,6))hept-3-yl)-2-methyl-, (R(Z))-

  • Applications

    alpha-Santalol (CAS 115-71-9) is a natural sesquiterpenic alcohol and a key constituent of sandalwood oil, used widely in fine fragrances as a warm, creamy, balsamic woody note with strong substantivity and as a fixative; in cosmetics and personal care as a fragrance and a potential skin-soothing/anti-inflammatory adjunct at IFRA-compliant levels for creams, serums, beard and hair care (often stabilized with antioxidants to limit oxidation); in aromatherapy for relaxation, meditation and sleep routines; and in household fragranced goods such as candles, soaps and detergents; preclinical studies indicate anti-inflammatory, antimicrobial, antioxidant and skin chemopreventive activities, supporting exploration in cosmeceuticals and topical formulations, while some jurisdictions allow limited use as a flavor ingredient; it is also employed as a reference standard/authenticity marker for sandalwood oil (α/β-santalol ratio), investigated for insect-repellent and antifungal properties and for microencapsulation to control release; it is poorly water-soluble, soluble in common organic solvents and high-boiling; safety notes: oxidized material or high doses may cause irritation/sensitization, so protect from air/light and follow local regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1496.87
    methanol 1260.13
    isopropanol 1433.07
    water 9.2
    ethyl acetate 1448.58
    n-propanol 1139.45
    acetone 1189.71
    n-butanol 1147.17
    acetonitrile 810.83
    DMF 839.6
    toluene 540.55
    isobutanol 737.03
    1,4-dioxane 2498.34
    methyl acetate 875.88
    THF 2230.99
    2-butanone 725.46
    n-pentanol 362.09
    sec-butanol 629.6
    n-hexane 51.89
    ethylene glycol 274.58
    NMP 153.29
    cyclohexane 134.07
    DMSO 427.88
    n-butyl acetate 483.7
    n-octanol 102.3
    chloroform 1461.24
    n-propyl acetate 437.16
    acetic acid 709.98
    dichloromethane 909.74
    cyclohexanone 563.7
    propylene glycol 331.69
    isopropyl acetate 1078.77
    DMAc 529.35
    2-ethoxyethanol 956.73
    isopentanol 848.37
    n-heptane 30.95
    ethyl formate 500.39
    1,2-dichloroethane 733.13
    n-hexanol 439.58
    2-methoxyethanol 2008.5
    isobutyl acetate 324.16
    tetrachloromethane 308.61
    n-pentyl acetate 213.05
    transcutol 2717.6
    n-heptanol 160.88
    ethylbenzene 190.95
    MIBK 660.68
    2-propoxyethanol 1214.6
    tert-butanol 1413.99
    MTBE 1681.62
    2-butoxyethanol 521.67
    propionic acid 450.07
    o-xylene 254.53
    formic acid 416.78
    diethyl ether 2044.54
    m-xylene 372.16
    p-xylene 224.9
    chlorobenzene 370.07
    dimethyl carbonate 461.5
    n-octane 12.87
    formamide 895.44
    cyclopentanone 600.77
    2-pentanone 881.24
    anisole 555.39
    cyclopentyl methyl ether 761.73
    gamma-butyrolactone 623.39
    1-methoxy-2-propanol 1562.95
    pyridine 910.47
    3-pentanone 543.69
    furfural 523.78
    n-dodecane 8.66
    diethylene glycol 944.25
    diisopropyl ether 597.78
    tert-amyl alcohol 610.13
    acetylacetone 1072.99
    n-hexadecane 10.09
    acetophenone 287.35
    methyl propionate 779.48
    isopentyl acetate 489.48
    trichloroethylene 1069.72
    n-nonanol 109.01
    cyclohexanol 427.83
    benzyl alcohol 313.1
    2-ethylhexanol 175.59
    isooctanol 137.15
    dipropyl ether 405.88
    1,2-dichlorobenzene 309.48
    ethyl lactate 200.07
    propylene carbonate 365.58
    n-methylformamide 687.16
    2-pentanol 654.85
    n-pentane 117.83
    1-propoxy-2-propanol 651.78
    1-methoxy-2-propyl acetate 963.59
    2-(2-methoxypropoxy) propanol 425.61
    mesitylene 266.52
    ε-caprolactone 508.33
    p-cymene 110.24
    epichlorohydrin 1038.48
    1,1,1-trichloroethane 774.46
    2-aminoethanol 627.33
    morpholine-4-carbaldehyde 714.94
    sulfolane 295.74
    2,2,4-trimethylpentane 42.9
    2-methyltetrahydrofuran 1009.37
    n-hexyl acetate 228.63
    isooctane 65.23
    2-(2-butoxyethoxy)ethanol 659.6
    sec-butyl acetate 403.19
    tert-butyl acetate 1088.92
    decalin 43.15
    glycerin 469.37
    diglyme 1432.7
    acrylic acid 359.4
    isopropyl myristate 116.19
    n-butyric acid 862.91
    acetyl acetate 844.77
    di(2-ethylhexyl) phthalate 97.93
    ethyl propionate 471.58
    nitromethane 1031.1
    1,2-diethoxyethane 1026.36
    benzonitrile 281.11
    trioctyl phosphate 64.49
    1-bromopropane 468.55
    gamma-valerolactone 1010.87
    n-decanol 79.79
    triethyl phosphate 158.29
    4-methyl-2-pentanol 470.76
    propionitrile 698.09
    vinylene carbonate 435.44
    1,1,2-trichlorotrifluoroethane 653.97
    DMS 353.88
    cumene 137.37
    2-octanol 84.23
    2-hexanone 291.06
    octyl acetate 121.24
    limonene 124.47
    1,2-dimethoxyethane 1462.31
    ethyl orthosilicate 189.31
    tributyl phosphate 84.01
    diacetone alcohol 791.44
    N,N-dimethylaniline 278.06
    acrylonitrile 630.12
    aniline 662.36
    1,3-propanediol 1219.45
    bromobenzene 355.2
    dibromomethane 611.3
    1,1,2,2-tetrachloroethane 868.52
    2-methyl-cyclohexyl acetate 203.51
    tetrabutyl urea 85.39
    diisobutyl methanol 173.43
    2-phenylethanol 382.68
    styrene 212.97
    dioctyl adipate 136.14
    dimethyl sulfate 330.85
    ethyl butyrate 383.14
    methyl lactate 361.2
    butyl lactate 185.87
    diethyl carbonate 274.76
    propanediol butyl ether 313.27
    triethyl orthoformate 318.71
    p-tert-butyltoluene 131.74
    methyl 4-tert-butylbenzoate 276.29
    morpholine 2305.7
    tert-butylamine 922.83
    n-dodecanol 61.04
    dimethoxymethane 1732.47
    ethylene carbonate 444.96
    cyrene 185.81
    2-ethoxyethyl acetate 552.94
    2-ethylhexyl acetate 316.51
    1,2,4-trichlorobenzene 328.48
    4-methylpyridine 707.83
    dibutyl ether 204.11
    2,6-dimethyl-4-heptanol 173.43
    DEF 550.39
    dimethyl isosorbide 471.84
    tetrachloroethylene 628.64
    eugenol 262.15
    triacetin 317.24
    span 80 259.02
    1,4-butanediol 262.23
    1,1-dichloroethane 890.66
    2-methyl-1-pentanol 275.78
    methyl formate 431.23
    2-methyl-1-butanol 555.63
    n-decane 15.45
    butyronitrile 693.25
    3,7-dimethyl-1-octanol 159.35
    1-chlorooctane 60.86
    1-chlorotetradecane 27.69
    n-nonane 13.8
    undecane 10.98
    tert-butylcyclohexane 44.93
    cyclooctane 49.54
    cyclopentanol 373.25
    tetrahydropyran 1768.29
    tert-amyl methyl ether 655.46
    2,5,8-trioxanonane 759.37
    1-hexene 146.99
    2-isopropoxyethanol 603.13
    2,2,2-trifluoroethanol 375.61
    methyl butyrate 434.19

    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
Amomum muricarpum Amomum muricarpum Elm, fam. Zingiberaceae 2.7%
Artemisia nilagirica (vulgaris) (India) 1 Artemisia nilagirica (C.B. Clarks) Pamp. (A. vulgaris Hook f.), Asteraceae 1.35%
Sandalwood, indian (India) 1 8006-87-9 Santalum album L., fam. Santalaceae 46.2%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.01%
Sandalwood, indian (India) 2 8006-87-9 Santalum album L., fam. Santalaceae 50.0%
Sandalwood, indian (India) 3 8006-87-9 Santalum album L., fam. Santalaceae 48.44%
Sandalwood, indian (China) 1 8006-87-9 Santalum album L., fam. Santalaceae 49.99%
Sandalwood, indian (China) 2 8006-87-9 Santalum album L., fam. Santalaceae 22.08%
Keora (India) 4 Pandanus odoratissimus L. (P. fascicularis Lam.), fam. Pandanaceae 0.11%
Tagetes filifolia (Peru) Tagetes filifolia Lag., fam. Asteraceae (Compositae) 0.01%
Sandalwood, australian (Australia) Santalum spicatum L., fam. Santalaceae 25.0%
Sandalwood, queenslandian (Australia) Santalum lanceolatum L., fam. Santalaceae 2.0%
Licaria salicifolia Licaria salicifolia (Sw.) Kosterm., fam. Lauraceae 0.5%
Elionurus elegans aerial parts Elionurus elegans Kunth (African Pasture Grass), fam. Poaceae (Gramineae) 1.2%
Elionurus elegans roots Elionurus elegans Kunth (African Pasture Grass), fam. Poaceae (Gramineae) 0.2%