alpha-Santalene

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  • Identifiers

    CAS number
    512-61-8

    Molecular formula
    C15H24

    SMILES
    CC(=CCCC1(C2CC3C1(C3C2)C)C)C

    Retention indicies (RI)

    • DB5: 1426.5
    • Carbowax: 1579.5

  • Odor profile

    Woody 85.18%
    Sweet 48.35%
    Sandalwood 44.36%
    Balsamic 42.66%
    Waxy 35.29%
    Amber 34.6%
    Dry 34.2%
    Herbal 33.62%
    Oily 33.37%
    Spicy 30.56%

    Scent© AI

  • Properties

    XLogP3-AA
    5.2

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    266°C

    Flash point est.
    47.6 ˚C

  • Synonyms

    • Santalene
    • alpha-Santalene
    • 512-61-8
    • .alpha.-Santalene
    • Santalen
    • a-Santalene
    • hexaphenyl-cyclotrisiloxane
    • 1,7-dimethyl-7-(4-methylpent-3-en-1-yl)tricyclo[2.2.1.02,6]heptane
    • Tricyclo[2.2.1.0(2,6)]heptane, 1,7-dimethyl-7-(4-methyl-3-pentenyl)-, (-)-
    • 1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.02,6]heptane
    • 1,7-Dimethyl-7-(4-methyl-3-pentenyl)-tricyclo[2.2.1.0(2,6)]heptane, (-)-
    • Tricyclo(2.2.1.0(2,6))heptane, 1,7-dimethyl-7-(4-methyl-3-pentenyl)-, (-)-
    • (-)-.alpha.-Santalene
    • CG25XV7SXN
    • 1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo(2.2.1.02,6)heptane
    • alpha -santalene
    • 1,7-Dimethyl-7-(4-methyl-3-pentenyl)-tricyclo(2.2.1.0(2,6))heptane, (-)-
    • (-)-alpha-Santalene
    • (-)-alpha -santalene
    • starbld0007845
    • UNII-CG25XV7SXN
    • alpha-Santalene, (-)-
    • AAA51261
    • AKOS024264302
    • DA-67400
    • NS00123013
    • Q29529955
    • 2,3-dimethyl-2-(4-methyl-3-pentenyl)-tricyclo[2.2.1.02,6]heptane

  • Applications

    alpha-Santalene (CAS 512-61-8) is a woody, warm, balsamic sesquiterpene hydrocarbon and a key constituent of sandalwood oil; it is used in perfumery as a woody base note to add depth, diffusion, and longevity (blending well with amber, musk, and white florals), in flavors and personal care, in aromatherapy and essential-oil modulation; as a reference standard in GC/GC‑MS for identification, quality control, and adulteration detection of sandalwood oils; as a platform molecule in fragrance biotechnology (microbial production via santalene synthase with downstream oxidation to santalol/sandalwood-like ingredients for sustainable supply); investigated as a semiochemical/insect attractant–repellent and for bioactivities (antimicrobial, antioxidant, anti-inflammatory) in nature-derived agro/cosmetic applications; employed as an intermediate in organic synthesis to access woody odorants and for stereochemical studies; and used in provenance testing and fingerprinting of essential oils and in sesquiterpene pathway research; commercial use should comply with IFRA, dermal safety, and REACH/GHS regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 411.81
    methanol 276.93
    isopropanol 412.22
    water 2.1
    ethyl acetate 875.1
    n-propanol 425.89
    acetone 556.01
    n-butanol 479.05
    acetonitrile 394.93
    DMF 427.37
    toluene 817.54
    isobutanol 335.19
    1,4-dioxane 1553.12
    methyl acetate 601.25
    THF 1467.29
    2-butanone 559.39
    n-pentanol 243.15
    sec-butanol 344.73
    n-hexane 173.55
    ethylene glycol 79.12
    NMP 272.53
    cyclohexane 365.18
    DMSO 214.31
    n-butyl acetate 600.67
    n-octanol 148.35
    chloroform 1452.02
    n-propyl acetate 383.7
    acetic acid 283.13
    dichloromethane 941.54
    cyclohexanone 613.51
    propylene glycol 126.17
    isopropyl acetate 777.03
    DMAc 495.34
    2-ethoxyethanol 411.22
    isopentanol 448.84
    n-heptane 123.73
    ethyl formate 282.34
    1,2-dichloroethane 692.39
    n-hexanol 420.88
    2-methoxyethanol 609.56
    isobutyl acetate 337.23
    tetrachloromethane 378.79
    n-pentyl acetate 273.18
    transcutol 1713.83
    n-heptanol 182.4
    ethylbenzene 408.19
    MIBK 510.63
    2-propoxyethanol 752.6
    tert-butanol 495.06
    MTBE 980.12
    2-butoxyethanol 371.71
    propionic acid 259.58
    o-xylene 462.01
    formic acid 101.31
    diethyl ether 1216.58
    m-xylene 583.91
    p-xylene 471.18
    chlorobenzene 586.25
    dimethyl carbonate 347.35
    n-octane 45.97
    formamide 215.6
    cyclopentanone 559.4
    2-pentanone 563.79
    anisole 723.14
    cyclopentyl methyl ether 739.74
    gamma-butyrolactone 511.36
    1-methoxy-2-propanol 588.07
    pyridine 905.34
    3-pentanone 520.52
    furfural 509.48
    n-dodecane 31.1
    diethylene glycol 406.21
    diisopropyl ether 616.49
    tert-amyl alcohol 366.01
    acetylacetone 742.42
    n-hexadecane 37.14
    acetophenone 427.73
    methyl propionate 549.9
    isopentyl acetate 661.79
    trichloroethylene 1114.57
    n-nonanol 164.12
    cyclohexanol 372.03
    benzyl alcohol 292.74
    2-ethylhexanol 271.85
    isooctanol 167.09
    dipropyl ether 606.4
    1,2-dichlorobenzene 537.02
    ethyl lactate 162.69
    propylene carbonate 364.34
    n-methylformamide 251.89
    2-pentanol 380.72
    n-pentane 228.88
    1-propoxy-2-propanol 526.95
    1-methoxy-2-propyl acetate 953.37
    2-(2-methoxypropoxy) propanol 464.92
    mesitylene 455.37
    ε-caprolactone 562.19
    p-cymene 262.34
    epichlorohydrin 771.44
    1,1,1-trichloroethane 884.34
    2-aminoethanol 185.68
    morpholine-4-carbaldehyde 663.3
    sulfolane 304.76
    2,2,4-trimethylpentane 119.71
    2-methyltetrahydrofuran 985.23
    n-hexyl acetate 354.69
    isooctane 136.0
    2-(2-butoxyethoxy)ethanol 580.81
    sec-butyl acetate 443.57
    tert-butyl acetate 830.15
    decalin 154.71
    glycerin 157.83
    diglyme 1119.16
    acrylic acid 213.49
    isopropyl myristate 217.05
    n-butyric acid 444.18
    acetyl acetate 715.6
    di(2-ethylhexyl) phthalate 168.09
    ethyl propionate 462.24
    nitromethane 449.52
    1,2-diethoxyethane 958.77
    benzonitrile 342.82
    trioctyl phosphate 104.52
    1-bromopropane 601.84
    gamma-valerolactone 809.75
    n-decanol 126.17
    triethyl phosphate 257.04
    4-methyl-2-pentanol 330.97
    propionitrile 421.01
    vinylene carbonate 413.07
    1,1,2-trichlorotrifluoroethane 476.98
    DMS 468.6
    cumene 287.15
    2-octanol 114.68
    2-hexanone 332.2
    octyl acetate 214.08
    limonene 302.05
    1,2-dimethoxyethane 829.06
    ethyl orthosilicate 295.59
    tributyl phosphate 137.44
    diacetone alcohol 461.59
    N,N-dimethylaniline 429.37
    acrylonitrile 393.91
    aniline 594.96
    1,3-propanediol 322.25
    bromobenzene 684.62
    dibromomethane 708.83
    1,1,2,2-tetrachloroethane 955.46
    2-methyl-cyclohexyl acetate 382.9
    tetrabutyl urea 153.51
    diisobutyl methanol 233.31
    2-phenylethanol 416.0
    styrene 449.95
    dioctyl adipate 249.61
    dimethyl sulfate 289.16
    ethyl butyrate 495.67
    methyl lactate 224.78
    butyl lactate 185.79
    diethyl carbonate 386.36
    propanediol butyl ether 227.73
    triethyl orthoformate 470.2
    p-tert-butyltoluene 291.99
    methyl 4-tert-butylbenzoate 389.7
    morpholine 1354.3
    tert-butylamine 463.87
    n-dodecanol 101.26
    dimethoxymethane 809.8
    ethylene carbonate 400.27
    cyrene 222.45
    2-ethoxyethyl acetate 514.05
    2-ethylhexyl acetate 549.85
    1,2,4-trichlorobenzene 587.8
    4-methylpyridine 760.54
    dibutyl ether 345.75
    2,6-dimethyl-4-heptanol 233.31
    DEF 517.7
    dimethyl isosorbide 660.11
    tetrachloroethylene 701.33
    eugenol 302.46
    triacetin 407.98
    span 80 310.76
    1,4-butanediol 102.28
    1,1-dichloroethane 794.18
    2-methyl-1-pentanol 268.29
    methyl formate 181.87
    2-methyl-1-butanol 368.98
    n-decane 53.21
    butyronitrile 401.85
    3,7-dimethyl-1-octanol 226.96
    1-chlorooctane 147.99
    1-chlorotetradecane 79.82
    n-nonane 48.61
    undecane 38.63
    tert-butylcyclohexane 145.76
    cyclooctane 175.58
    cyclopentanol 311.33
    tetrahydropyran 1370.79
    tert-amyl methyl ether 634.97
    2,5,8-trioxanonane 762.16
    1-hexene 291.78
    2-isopropoxyethanol 331.4
    2,2,2-trifluoroethanol 158.16
    methyl butyrate 403.37

    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
Bergamot (Italy) 3 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Carrot seed (France) 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.06%
Hortensis flower Euodia hortensis forma hortensis, fam. Saxifragaceae (Hydrangea) 0.4%
Lavender (France) 2a 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.76%
Opoponax 8021-36-1 Commiphora erythraea Engler var. glabrescens Engler, fam. Burseraceae 10.0%
Zdravets Geranium macrorrhizum L., fam. Geraniaceae 0.5%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 6.87%
Sandalwood, indian (India) 2 8006-87-9 Santalum album L., fam. Santalaceae 0.82%
Sandalwood, indian (India) 3 8006-87-9 Santalum album L., fam. Santalaceae 1.13%
Sandalwood, indian (China) 1 8006-87-9 Santalum album L., fam. Santalaceae 0.68%
Rosemary (Italy) 4 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.19%
Rosemary (Italy) 3 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.41%
Carrot seed (France) 4 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 1.04%
Carrot seed (France) 3 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 1.91%
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 1.11%
Rosemary (Morocco) 1 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.01%
Rosemary (France) 1 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.01%
Sandalwood, indian (China) 2 8006-87-9 Santalum album L., fam. Santalaceae 1.51%
Lavandin (France) (Grosso) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiesleur), Lamiaceae 0.21%
Lavandin (France) (Abrialis) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.67%
Chloranthus spicatus flower head space Chloranthus spicatus (Thunb.) Makino, fam. Chloranthaceae 0.1%
Amomum villosum (China) 2b Amomum villosum Lour. var. xanthioides, fam. Zingiberaceae 0.18%
Ho leaf (Japan) 1a 8022-91-1 Cinnamomum camphora Sieb. linaloolifera Fujita, fam. Lauraceae 0.35%
Camphor (Cote d'Ivoire), 1b stem 8008-51-3 Cinnamomum camphora (L.) Nees et Ebermaier, fam. Lauraceae 1.0%
Camphor (Cote d'Ivoire), 1c bark 8008-51-3 Cinnamomum camphora (L.) Nees et Ebermaier, fam. Lauraceae 6.0%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.3%
Persea podadenia leaf Persea podadenia Blake, subgenus Eriodaphne, fam. Lauraceae 0.43%
Calamus (China) 1c root 8015-79-0 Acorus calamus L., fam. Araceae 0.01%
Rosa rugosa (China) 1 Rosa rugosa Thunb. (hybrids), fam. Rosaceae 0.01%
Sugandha kokila fruit Cinnamomum glaucescens (Nees) Drury (C. cecidodaphne Meissn.)fam.Lauraceae 2.1%
Sugandha kokila pericarp Cinnamomum glaucescens (Nees) Drury (C. cecidodaphne Meissn.)fam.Lauraceae 0.3%
Fitweed seed Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 0.09%
Licaria salicifolia Licaria salicifolia (Sw.) Kosterm., fam. Lauraceae 10.0%
Plectranthus barbatus (Brazil) 2b stem Plectranthus barbatus Andr. (Coleus barbatus), fam. Lamiaceae (Labiatae) 0.7%
Plectranthus barbatus (Brazil) 2c root Plectranthus barbatus Andr. (Coleus barbatus), fam. Lamiaceae (Labiatae) 8.1%
Aeollanthus suaveolens 1a flowering Aeollanthus suaveolens Mart. ex Spreng., fam. Lamiaceae (Labiatae) 2.53%
Aeollanthus suaveolens 1b vegetative Aeollanthus suaveolens Mart. ex Spreng., fam. Lamiaceae (Labiatae) 2.51%
Eupatorium cannabinum Eupatorium cannabinum L. ssp. cannabinum, fam. Astercaceae (Compositae) 0.1%
Eugenia catharinensis leaf (Brazil) Eugenia catharinensis D. Legrand, fam. Myrtaceae 3.0%
Lavender (France) 8 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.28%
Lavender (Bulgaria) 2 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.37%
Lavender (Ukraine) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.67%
Lavender (Australia) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.74%
Lavender (Moldova) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.65%
Lavandin (Hvar) 8022-15-9 Lavandula x hybrida 0.06%
Lavender angustifolia (France) 7 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.63%
Cannabis (Hemp) oil Cannabis sativa L., fam. Cannabinaceae 0.19%