Agarospirol

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  • Identifiers

    CAS number
    1460-73-7

    Molecular formula
    C15H26O

    SMILES
    C[C@@H]1CCC=C([C@@]12CC[C@H](C2)C(C)(C)O)C

  • Odor profile

    Woody 76.92%
    Sweet 54.81%
    Floral 49.74%
    Spicy 44.44%
    Balsamic 41.14%
    Amber 37.02%
    Dry 36.7%
    Sandalwood 34.11%
    Citrus 32.7%
    Clean 32.11%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    298°C

    Flash point est.
    115.66 ˚C

  • Synonyms

    • Agarospirol
    • 1460-73-7
    • (-)-Agarospirol
    • 2-[(3R,5R,6R)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol
    • Agaruspirol
    • alpha,alpha,6,10-Tetramethylspiro(4.5)dec-6-ene-2-methanol
    • Spiro(4.5)dec-6-ene-2-methanol, alpha,alpha,6,10-tetramethyl-
    • 2-((3R,5R,6R)-6,10-dimethylspiro(4.5)dec-9-en-3-yl)propan-2-ol
    • 2R-(2alpha,5beta)(R*)-isomer of hinesol
    • 2-(6,10-Dimethylspiro[4.5]dec-6-en-2-yl)-2-propanol #
    • CHEBI:167410
    • AKOS040745509
    • 2-(6,10-dimethyl-2-spiro[4.5]dec-9-enyl)propan-2-ol

  • Applications

    Agarospirol (CAS 1460-73-7) is a characteristic sesquiterpene alcohol of agarwood/oud, applied primarily in the fragrance–cosmetics industry as a warm woody, slightly smoky, sweet base-note ingredient and as a fixative that boosts odor longevity in woody–amber accords (blending well with sandalwood, patchouli, cypriol/nagarmotha and labdanum), and it is used in niche perfumery, candles, soaps and detergents thanks to reasonable stability toward alkali and heat; in laboratories it serves as an analytical reference/marker to identify and quantify agarwood essential oils by GC–MS/HPLC for quality control, provenance authentication and chemotaxonomy of Aquilaria; in natural-product and pharmacognosy research, agarospirol is examined at preclinical levels for putative bioactivities (e.g., sedative/anxiolytic-like, anti-inflammatory, antibacterial, antioxidant, neuroprotective) and as a scaffold for structure–odor relationship studies and derivative optimization; it is also leveraged in formulation technology (soluble in ethanol/DPG/IPM, amenable to microencapsulation for sustained release or enhanced note tenacity), in process development for enrichment from agarwood, and in anti-fraud authentication of oud-related products; note that agarospirol is not an approved drug active, safety/toxicology data remain limited, so use is restricted to research or fragrance applications per local regulations, with appropriate handling for flammable chemicals and compatibility/allergen testing in real formulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 541.8
    methanol 524.61
    isopropanol 444.4
    water 1.05
    ethyl acetate 548.94
    n-propanol 455.51
    acetone 568.88
    n-butanol 488.26
    acetonitrile 441.37
    DMF 526.28
    toluene 602.61
    isobutanol 304.69
    1,4-dioxane 1380.06
    methyl acetate 419.74
    THF 1941.2
    2-butanone 489.54
    n-pentanol 194.18
    sec-butanol 271.84
    n-hexane 50.61
    ethylene glycol 40.52
    NMP 356.75
    cyclohexane 168.03
    DMSO 259.27
    n-butyl acetate 484.34
    n-octanol 173.03
    chloroform 1160.93
    n-propyl acetate 239.13
    acetic acid 210.68
    dichloromethane 873.09
    cyclohexanone 641.19
    propylene glycol 86.51
    isopropyl acetate 406.43
    DMAc 377.5
    2-ethoxyethanol 231.12
    isopentanol 392.44
    n-heptane 67.36
    ethyl formate 254.02
    1,2-dichloroethane 424.68
    n-hexanol 480.94
    2-methoxyethanol 527.54
    isobutyl acetate 204.98
    tetrachloromethane 190.47
    n-pentyl acetate 263.89
    transcutol 1381.37
    n-heptanol 192.35
    ethylbenzene 189.59
    MIBK 324.69
    2-propoxyethanol 650.35
    tert-butanol 462.29
    MTBE 570.28
    2-butoxyethanol 322.33
    propionic acid 194.31
    o-xylene 243.31
    formic acid 66.36
    diethyl ether 694.6
    m-xylene 349.49
    p-xylene 245.1
    chlorobenzene 445.36
    dimethyl carbonate 164.52
    n-octane 22.0
    formamide 129.79
    cyclopentanone 724.43
    2-pentanone 467.97
    anisole 360.29
    cyclopentyl methyl ether 636.27
    gamma-butyrolactone 663.28
    1-methoxy-2-propanol 475.9
    pyridine 775.59
    3-pentanone 325.52
    furfural 493.93
    n-dodecane 17.41
    diethylene glycol 288.81
    diisopropyl ether 225.95
    tert-amyl alcohol 261.53
    acetylacetone 463.37
    n-hexadecane 20.7
    acetophenone 257.82
    methyl propionate 360.17
    isopentyl acetate 437.46
    trichloroethylene 759.8
    n-nonanol 163.3
    cyclohexanol 348.37
    benzyl alcohol 217.07
    2-ethylhexanol 242.71
    isooctanol 150.21
    dipropyl ether 414.65
    1,2-dichlorobenzene 335.61
    ethyl lactate 98.05
    propylene carbonate 366.61
    n-methylformamide 247.4
    2-pentanol 260.06
    n-pentane 77.17
    1-propoxy-2-propanol 449.69
    1-methoxy-2-propyl acetate 529.31
    2-(2-methoxypropoxy) propanol 315.44
    mesitylene 208.01
    ε-caprolactone 526.51
    p-cymene 151.54
    epichlorohydrin 725.04
    1,1,1-trichloroethane 479.61
    2-aminoethanol 132.33
    morpholine-4-carbaldehyde 617.44
    sulfolane 405.4
    2,2,4-trimethylpentane 37.76
    2-methyltetrahydrofuran 987.13
    n-hexyl acetate 366.89
    isooctane 39.09
    2-(2-butoxyethoxy)ethanol 431.67
    sec-butyl acetate 201.65
    tert-butyl acetate 425.69
    decalin 55.72
    glycerin 112.77
    diglyme 770.23
    acrylic acid 135.63
    isopropyl myristate 156.96
    n-butyric acid 399.19
    acetyl acetate 333.69
    di(2-ethylhexyl) phthalate 150.27
    ethyl propionate 221.84
    nitromethane 369.0
    1,2-diethoxyethane 573.64
    benzonitrile 360.4
    trioctyl phosphate 107.1
    1-bromopropane 382.15
    gamma-valerolactone 892.98
    n-decanol 116.67
    triethyl phosphate 129.66
    4-methyl-2-pentanol 189.83
    propionitrile 451.84
    vinylene carbonate 376.74
    1,1,2-trichlorotrifluoroethane 304.36
    DMS 263.17
    cumene 125.64
    2-octanol 116.03
    2-hexanone 236.27
    octyl acetate 183.91
    limonene 200.94
    1,2-dimethoxyethane 556.95
    ethyl orthosilicate 140.5
    tributyl phosphate 122.77
    diacetone alcohol 329.64
    N,N-dimethylaniline 217.27
    acrylonitrile 390.95
    aniline 451.82
    1,3-propanediol 272.81
    bromobenzene 504.41
    dibromomethane 583.81
    1,1,2,2-tetrachloroethane 574.04
    2-methyl-cyclohexyl acetate 258.49
    tetrabutyl urea 150.27
    diisobutyl methanol 152.42
    2-phenylethanol 322.69
    styrene 231.99
    dioctyl adipate 196.57
    dimethyl sulfate 161.22
    ethyl butyrate 310.35
    methyl lactate 146.01
    butyl lactate 183.08
    diethyl carbonate 199.97
    propanediol butyl ether 256.63
    triethyl orthoformate 236.0
    p-tert-butyltoluene 163.98
    methyl 4-tert-butylbenzoate 267.08
    morpholine 1271.5
    tert-butylamine 358.4
    n-dodecanol 87.53
    dimethoxymethane 626.89
    ethylene carbonate 341.06
    cyrene 211.87
    2-ethoxyethyl acetate 387.85
    2-ethylhexyl acetate 352.71
    1,2,4-trichlorobenzene 374.71
    4-methylpyridine 741.24
    dibutyl ether 238.21
    2,6-dimethyl-4-heptanol 152.42
    DEF 368.74
    dimethyl isosorbide 537.29
    tetrachloroethylene 372.27
    eugenol 234.58
    triacetin 294.49
    span 80 290.88
    1,4-butanediol 60.44
    1,1-dichloroethane 508.26
    2-methyl-1-pentanol 176.37
    methyl formate 171.35
    2-methyl-1-butanol 295.95
    n-decane 33.04
    butyronitrile 510.03
    3,7-dimethyl-1-octanol 188.08
    1-chlorooctane 120.59
    1-chlorotetradecane 49.49
    n-nonane 30.54
    undecane 23.02
    tert-butylcyclohexane 51.28
    cyclooctane 59.28
    cyclopentanol 316.03
    tetrahydropyran 1328.85
    tert-amyl methyl ether 305.96
    2,5,8-trioxanonane 497.98
    1-hexene 153.63
    2-isopropoxyethanol 180.66
    2,2,2-trifluoroethanol 79.87
    methyl butyrate 257.07

    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
Agarwood 1 Aquilaria agallocha Roxb., fam. Thymelaeaceae 4.7%
Agarwood 2 Aquilaria agallocha Roxb., fam. Thymelaeaceae 0.2%
Agarwood smoke 1 Aquilaria agallocha Roxb., fam. Thymelaeaceae 0.13%
Phoebe 1 Phoebe porosa Mez. (syn. Oreodaphne porosa Nees et Mart.), fam. Lauraceae 2.2%
Psiadia viscosa Psiadia viscosa (Lam.) A.J. Scott, fam. Asteraceae (Compositae) 1.94%