Valerianol

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  • Identifiers

    CAS number
    20489-45-6

    Molecular formula
    C15H26O

    SMILES
    C[C@@H]1CCC=C2[C@]1(C[C@@H](CC2)C(C)(C)O)C

    Retention indicies (RI)

    • DB5: 1674.0

  • Odor profile

    Woody 77.3%
    Sweet 54.81%
    Floral 47.73%
    Spicy 41.5%
    Balsamic 41.31%
    Amber 39.62%
    Dry 38.39%
    Sandalwood 36.3%
    Waxy 32.35%
    Powdery 32.15%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    307°C

    Flash point est.
    114.87 ˚C

  • Synonyms

    • Valerianol
    • Kusenol
    • Kusunol
    • CHEBI:143779
    • (+)-Valerianol
    • 20489-45-6
    • 2-[(2R,8R,8aS)-8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl]propan-2-ol
    • 2-[(2R,8R,8As)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]propan-2-ol
    • 2-((2R,8R,8aS)-8,8a-Dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)propan-2-ol
    • 2-((2R,8R,8aS)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-ol
    • SCHEMBL2844420
    • DTXSID601317373
    • 2-Naphthalenemethanol, 1,2,3,4,6,7,8,8a-octahydro-.alpha.,.alpha.,8,8a-tetramethyl-, (2R,8R,8aS)-
    • 2-Naphthalenemethanol, 1,2,3,4,6,7,8,8a-octahydro-alpha,alpha,8,8a-tetramethyl-, (2R,8R,8aS)-

  • Applications

    Valerianol (CAS 20489-45-6) is a natural sesquiterpene alcohol found in Valeriana essential oils and used in perfumery as a base-note ingredient delivering damp-woody, weedy, earthy, slightly balsamic and mildly sweet nuances; with low volatility and good stability it reinforces the base and drydown, rounds out herbal/woody, fougère, chypre, amber and oriental accords, and blends well with patchouli, vetiver, cedarwood, labdanum, musks and aldehydes; in practice it is applied in fine fragrances, scented candles and ambient diffusers, as well as in personal care and household products (soaps, shampoos, detergents) to add natural depth and substantivity, and in laboratories it serves as a GC-MS reference/marker for origin tracing and quality control of valerian and other woody raw materials, supporting studies in secondary metabolism, terpenoid biosynthesis and olfactory fingerprinting; it dissolves readily in organic solvents, especially ethanol and perfume oils, should be stored tightly closed away from light and heat, and is available via both natural extraction and synthetic routes to meet compliance (e.g., natural-origin claims, IFRA, clean labeling) and cost-performance goals.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 308.71
    methanol 240.62
    isopropanol 368.22
    water 0.63
    ethyl acetate 473.05
    n-propanol 339.35
    acetone 481.77
    n-butanol 341.03
    acetonitrile 367.57
    DMF 552.95
    toluene 554.89
    isobutanol 257.63
    1,4-dioxane 1156.91
    methyl acetate 429.8
    THF 1476.39
    2-butanone 531.11
    n-pentanol 147.43
    sec-butanol 247.24
    n-hexane 54.06
    ethylene glycol 31.11
    NMP 315.71
    cyclohexane 165.51
    DMSO 251.41
    n-butyl acetate 422.51
    n-octanol 179.1
    chloroform 1004.88
    n-propyl acetate 216.64
    acetic acid 118.43
    dichloromethane 738.15
    cyclohexanone 648.16
    propylene glycol 71.84
    isopropyl acetate 335.03
    DMAc 434.93
    2-ethoxyethanol 189.21
    isopentanol 276.17
    n-heptane 70.33
    ethyl formate 207.92
    1,2-dichloroethane 424.61
    n-hexanol 385.64
    2-methoxyethanol 385.7
    isobutyl acetate 196.4
    tetrachloromethane 187.36
    n-pentyl acetate 261.97
    transcutol 1043.78
    n-heptanol 185.57
    ethylbenzene 211.28
    MIBK 263.04
    2-propoxyethanol 477.59
    tert-butanol 414.6
    MTBE 476.62
    2-butoxyethanol 281.46
    propionic acid 165.56
    o-xylene 275.53
    formic acid 33.18
    diethyl ether 513.33
    m-xylene 330.81
    p-xylene 273.57
    chlorobenzene 393.16
    dimethyl carbonate 168.09
    n-octane 26.75
    formamide 76.93
    cyclopentanone 724.39
    2-pentanone 416.47
    anisole 350.95
    cyclopentyl methyl ether 511.24
    gamma-butyrolactone 596.91
    1-methoxy-2-propanol 384.65
    pyridine 676.85
    3-pentanone 334.08
    furfural 445.73
    n-dodecane 20.01
    diethylene glycol 228.07
    diisopropyl ether 176.09
    tert-amyl alcohol 256.42
    acetylacetone 421.17
    n-hexadecane 24.08
    acetophenone 264.92
    methyl propionate 350.96
    isopentyl acetate 390.82
    trichloroethylene 760.13
    n-nonanol 161.07
    cyclohexanol 295.6
    benzyl alcohol 209.15
    2-ethylhexanol 214.7
    isooctanol 150.53
    dipropyl ether 334.71
    1,2-dichlorobenzene 315.02
    ethyl lactate 103.36
    propylene carbonate 319.51
    n-methylformamide 213.22
    2-pentanol 214.56
    n-pentane 72.76
    1-propoxy-2-propanol 403.35
    1-methoxy-2-propyl acetate 428.2
    2-(2-methoxypropoxy) propanol 281.92
    mesitylene 212.51
    ε-caprolactone 489.89
    p-cymene 161.65
    epichlorohydrin 649.18
    1,1,1-trichloroethane 495.88
    2-aminoethanol 102.12
    morpholine-4-carbaldehyde 564.73
    sulfolane 437.28
    2,2,4-trimethylpentane 35.29
    2-methyltetrahydrofuran 754.64
    n-hexyl acetate 367.73
    isooctane 35.47
    2-(2-butoxyethoxy)ethanol 379.09
    sec-butyl acetate 189.66
    tert-butyl acetate 351.75
    decalin 59.96
    glycerin 89.58
    diglyme 711.85
    acrylic acid 122.57
    isopropyl myristate 154.95
    n-butyric acid 290.18
    acetyl acetate 269.3
    di(2-ethylhexyl) phthalate 138.47
    ethyl propionate 215.29
    nitromethane 299.68
    1,2-diethoxyethane 469.57
    benzonitrile 328.44
    trioctyl phosphate 105.13
    1-bromopropane 367.55
    gamma-valerolactone 813.58
    n-decanol 115.8
    triethyl phosphate 135.92
    4-methyl-2-pentanol 149.26
    propionitrile 425.44
    vinylene carbonate 339.96
    1,1,2-trichlorotrifluoroethane 294.21
    DMS 275.65
    cumene 143.83
    2-octanol 125.68
    2-hexanone 234.54
    octyl acetate 180.35
    limonene 204.69
    1,2-dimethoxyethane 477.25
    ethyl orthosilicate 135.21
    tributyl phosphate 119.63
    diacetone alcohol 283.68
    N,N-dimethylaniline 226.29
    acrylonitrile 365.73
    aniline 398.96
    1,3-propanediol 177.02
    bromobenzene 452.74
    dibromomethane 508.54
    1,1,2,2-tetrachloroethane 593.32
    2-methyl-cyclohexyl acetate 235.67
    tetrabutyl urea 147.74
    diisobutyl methanol 143.31
    2-phenylethanol 288.73
    styrene 247.22
    dioctyl adipate 182.52
    dimethyl sulfate 184.01
    ethyl butyrate 273.74
    methyl lactate 140.97
    butyl lactate 187.63
    diethyl carbonate 182.18
    propanediol butyl ether 243.48
    triethyl orthoformate 210.88
    p-tert-butyltoluene 176.51
    methyl 4-tert-butylbenzoate 280.98
    morpholine 1027.07
    tert-butylamine 314.73
    n-dodecanol 87.7
    dimethoxymethane 512.47
    ethylene carbonate 306.24
    cyrene 201.61
    2-ethoxyethyl acetate 351.75
    2-ethylhexyl acetate 316.86
    1,2,4-trichlorobenzene 348.9
    4-methylpyridine 661.41
    dibutyl ether 241.34
    2,6-dimethyl-4-heptanol 143.31
    DEF 335.9
    dimethyl isosorbide 478.47
    tetrachloroethylene 361.59
    eugenol 240.77
    triacetin 311.98
    span 80 254.96
    1,4-butanediol 48.28
    1,1-dichloroethane 509.72
    2-methyl-1-pentanol 144.14
    methyl formate 157.5
    2-methyl-1-butanol 231.45
    n-decane 38.11
    butyronitrile 420.31
    3,7-dimethyl-1-octanol 182.44
    1-chlorooctane 136.79
    1-chlorotetradecane 55.17
    n-nonane 35.96
    undecane 26.72
    tert-butylcyclohexane 54.18
    cyclooctane 61.88
    cyclopentanol 289.44
    tetrahydropyran 1052.6
    tert-amyl methyl ether 266.91
    2,5,8-trioxanonane 445.44
    1-hexene 160.02
    2-isopropoxyethanol 168.04
    2,2,2-trifluoroethanol 58.4
    methyl butyrate 245.79

    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 2.9%
Eucalyptus viminalis (Uruguay) Eucalyptus viminalis Labill., fam. Myrtaceae 1.8%
Agarwood 2 Aquilaria agallocha Roxb., fam. Thymelaeaceae 1.4%
Agarwood smoke 1 Aquilaria agallocha Roxb., fam. Thymelaeaceae 3.0%
Agarwood smoke 2 Aquilaria agallocha Roxb., fam. Thymelaeaceae 0.93%