Valerenol

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  • Identifiers

    CAS number
    101628-22-2

    Molecular formula
    C15H24O

    SMILES
    CC1CCC(C2=C(CCC12)C)/C=C(\C)/CO

    Safety labels

  • Odor profile

    Fragrance
    Woody 74.92%
    Sandalwood 51.22%
    Floral 41.15%
    Amber 40.0%
    Powdery 35.1%
    Dry 34.32%
    Balsamic 33.62%
    Waxy 32.16%
    Sweet 31.44%
    Musk 30.94%

     

    Flavor
    Sweet 56.82%
    Woody 52.61%
    Spicy 42.28%
    Floral 40.11%
    Herbal 37.48%
    Balsam 35.67%
    Wood 34.17%
    Spice 29.05%
    Balsamic 28.49%
    Fresh 28.06%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    9.74 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    342°C

    Flash point

    • 138.8 ˚C est.

  • Synonyms

    • valerenol
    • a-Valerenol
    • (E)-3-(3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-en-1-ol
    • (E)-3-((4S,7R,7aR)-3,7-Dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-en-1-ol
    • 2-Propen-1-ol, 3-(2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, [4S-[4.alpha.(E),7.beta.,7a.alpha.]]-
    • 2-Propen-1-ol, 3-[(4S,7R,7aR)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-, (2E)-
    • (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-en-1-ol
    • 2-Propen-1-ol, 3-((4S,7R,7aR)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, (2E)-
    • RefChem:193554
    • 2-Propen-1-ol, 3-(2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, (4S-(4alpha(E),7beta,7aalpha))-
    • 101628-22-2
    • KIQXKOUFPHTUQS-CSKARUKUSA-N
    • KIQXKOUFPHTUQS-PNTQQESLSA-N
    • alpha-Valerenol
    • SCHEMBL29786691
    • CHEBI:195959
    • Q67880146
    • 101628-22-2

  • Applications

    Valerenol (CAS 101628-22-2) is regarded as a fragrance ingredient and is evaluated for use in perfumery as an odorant; it may also be incorporated into cosmetics and personal care products, as well as household products, to impart its distinctive aroma. As a fragrance component, valerenol can act as a minor constituent or fixative to improve aroma longevity in formulations. Additionally, it can be used as an intermediate in fragrance synthesis, enabling the development of related aroma compounds, with usage subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3000.2
    methanol 2385.08
    isopropanol 3078.02
    water 0.59
    ethyl acetate 2852.27
    n-propanol 3161.81
    acetone 3350.06
    n-butanol 2866.56
    acetonitrile 2444.53
    DMF 1802.13
    toluene 1474.02
    isobutanol 2048.05
    1,4-dioxane 3782.38
    methyl acetate 1846.86
    THF 4584.49
    2-butanone 2444.92
    n-pentanol 863.63
    sec-butanol 1594.35
    n-hexane 94.09
    ethylene glycol 165.56
    NMP 569.24
    cyclohexane 292.23
    DMSO 967.09
    n-butyl acetate 1445.9
    n-octanol 290.28
    chloroform 3253.51
    n-propyl acetate 984.86
    acetic acid 707.41
    dichloromethane 2742.57
    cyclohexanone 1980.13
    propylene glycol 309.54
    isopropyl acetate 1530.35
    DMAc 769.31
    2-ethoxyethanol 1080.29
    isopentanol 2003.47
    n-heptane 61.32
    ethyl formate 1164.51
    1,2-dichloroethane 1917.06
    n-hexanol 1241.36
    2-methoxyethanol 2637.0
    isobutyl acetate 595.38
    tetrachloromethane 613.65
    n-pentyl acetate 649.65
    transcutol 4021.14
    n-heptanol 404.2
    ethylbenzene 363.0
    MIBK 1089.47
    2-propoxyethanol 1823.39
    tert-butanol 2412.89
    MTBE 3223.66
    2-butoxyethanol 822.35
    propionic acid 845.63
    o-xylene 474.64
    formic acid 173.45
    diethyl ether 3794.63
    m-xylene 762.41
    p-xylene 386.06
    chlorobenzene 941.67
    dimethyl carbonate 466.83
    n-octane 25.31
    formamide 402.11
    cyclopentanone 2198.04
    2-pentanone 2337.34
    anisole 699.73
    cyclopentyl methyl ether 1722.24
    gamma-butyrolactone 1848.14
    1-methoxy-2-propanol 1937.57
    pyridine 2404.45
    3-pentanone 1371.31
    furfural 1082.19
    n-dodecane 16.79
    diethylene glycol 840.09
    diisopropyl ether 784.85
    tert-amyl alcohol 1234.25
    acetylacetone 1379.92
    n-hexadecane 20.7
    acetophenone 459.5
    methyl propionate 1494.33
    isopentyl acetate 1232.94
    trichloroethylene 2671.86
    n-nonanol 248.16
    cyclohexanol 1205.71
    benzyl alcohol 503.07
    2-ethylhexanol 519.6
    isooctanol 318.46
    dipropyl ether 870.95
    1,2-dichlorobenzene 640.89
    ethyl lactate 252.96
    propylene carbonate 832.1
    n-methylformamide 1332.02
    2-pentanol 1446.22
    n-pentane 198.93
    1-propoxy-2-propanol 1189.64
    1-methoxy-2-propyl acetate 1064.41
    2-(2-methoxypropoxy) propanol 453.44
    mesitylene 393.82
    ε-caprolactone 1434.56
    p-cymene 219.86
    epichlorohydrin 2521.46
    1,1,1-trichloroethane 1599.81
    2-aminoethanol 603.58
    morpholine-4-carbaldehyde 1099.54
    sulfolane 889.45
    2,2,4-trimethylpentane 69.58
    2-methyltetrahydrofuran 2984.72
    n-hexyl acetate 747.44
    isooctane 83.49
    2-(2-butoxyethoxy)ethanol 837.81
    sec-butyl acetate 627.06
    tert-butyl acetate 1177.14
    decalin 75.0
    glycerin 334.33
    diglyme 1652.75
    acrylic acid 459.26
    isopropyl myristate 206.55
    n-butyric acid 1885.46
    acetyl acetate 841.56
    di(2-ethylhexyl) phthalate 182.86
    ethyl propionate 734.97
    nitromethane 1363.89
    1,2-diethoxyethane 1813.67
    benzonitrile 790.67
    trioctyl phosphate 140.5
    1-bromopropane 1446.4
    gamma-valerolactone 2289.67
    n-decanol 167.75
    triethyl phosphate 195.2
    4-methyl-2-pentanol 679.93
    propionitrile 2206.42
    vinylene carbonate 803.1
    1,1,2-trichlorotrifluoroethane 883.83
    DMS 436.96
    cumene 210.62
    2-octanol 232.57
    2-hexanone 810.42
    octyl acetate 255.62
    limonene 300.05
    1,2-dimethoxyethane 1890.77
    ethyl orthosilicate 217.35
    tributyl phosphate 180.38
    diacetone alcohol 904.22
    N,N-dimethylaniline 322.63
    acrylonitrile 1780.34
    aniline 1258.17
    1,3-propanediol 1341.92
    bromobenzene 997.47
    dibromomethane 1975.97
    1,1,2,2-tetrachloroethane 1765.12
    2-methyl-cyclohexyl acetate 363.33
    tetrabutyl urea 192.77
    diisobutyl methanol 307.75
    2-phenylethanol 622.75
    styrene 470.07
    dioctyl adipate 244.59
    dimethyl sulfate 356.58
    ethyl butyrate 696.5
    methyl lactate 371.71
    butyl lactate 395.95
    diethyl carbonate 380.8
    propanediol butyl ether 536.45
    triethyl orthoformate 441.97
    p-tert-butyltoluene 225.52
    methyl 4-tert-butylbenzoate 363.07
    morpholine 4482.22
    tert-butylamine 1749.57
    n-dodecanol 117.83
    dimethoxymethane 2347.91
    ethylene carbonate 834.36
    cyrene 307.84
    2-ethoxyethyl acetate 975.07
    2-ethylhexyl acetate 822.17
    1,2,4-trichlorobenzene 692.62
    4-methylpyridine 2083.83
    dibutyl ether 534.05
    2,6-dimethyl-4-heptanol 307.75
    DEF 1406.35
    dimethyl isosorbide 655.68
    tetrachloroethylene 1179.63
    eugenol 354.04
    triacetin 453.14
    span 80 375.01
    1,4-butanediol 280.84
    1,1-dichloroethane 2376.37
    2-methyl-1-pentanol 654.48
    methyl formate 815.27
    2-methyl-1-butanol 1559.71
    n-decane 35.31
    butyronitrile 2555.97
    3,7-dimethyl-1-octanol 332.41
    1-chlorooctane 186.89
    1-chlorotetradecane 58.34
    n-nonane 34.34
    undecane 22.92
    tert-butylcyclohexane 71.23
    cyclooctane 85.73
    cyclopentanol 1055.65
    tetrahydropyran 4702.82
    tert-amyl methyl ether 1118.97
    2,5,8-trioxanonane 779.69
    1-hexene 446.42
    2-isopropoxyethanol 683.99
    2,2,2-trifluoroethanol 212.46
    methyl butyrate 942.5

    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