(1R,2R,4aS,8aS)-Decahydro-2,5,5,8a-tetramethyl-1-((2Z)-3-methyl-2,4-pentadien-1-yl)-2-naphthalenol

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  • Identifiers

    CAS number
    17990-16-8

    Molecular formula
    C20H34O

    SMILES
    C/C(=C/C[C@@H]1[C@]2(CCCC([C@@H]2CC[C@@]1(C)O)(C)C)C)/C=C

  • Odor profile

    Fragrance
    Woody 83.97%
    Sweet 53.79%
    Amber 47.97%
    Balsamic 42.9%
    Sandalwood 41.62%
    Dry 40.25%
    Cedar 36.18%
    Spicy 33.82%
    Powdery 33.79%
    Vetiver 31.64%

     

    Flavor
    Woody 76.79%
    Sweet 61.88%
    Wood 48.17%
    Floral 39.03%
    Fresh 39.01%
    Balsam 38.56%
    Citrus 34.44%
    Green 33.73%
    Amber 30.8%
    Pine 30.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    8.85 (weak base)

    Molecular weight
    290.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    393°C

    Flash point

    • 143.72 ˚C est.

  • Synonyms

    • (+)-cis-Abienol
    • cis-Abienol
    • (Z)-Abienol
    • 17990-16-8
    • (12Z)-Abienol
    • Abienol, cis-
    • (Z)-Labda-12,14-dien-8-ol
    • 9H-(Labda-12,14-dien-8-ol)
    • 77970B04CL
    • (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
    • (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(2Z)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalen-2-ol
    • (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-((Z)-3-methylpenta-2,4-dien-1-yl)decahydronaphthalen-2-ol
    • (1R,2R,4aS,8aS)-Decahydro-2,5,5,8a-tetramethyl-1-[(2Z)-3-methyl-2,4-pentadien-1-yl]-2-naphthalenol
    • 25578-83-0
    • (1R,2R,4aS,8aS)-Decahydro-2,5,5,8a-tetramethyl-1-((2Z)-3-methyl-2,4-pentadien-1-yl)-2-naphthalenol
    • Labda-12,14-dien-8-ol, (Z)-
    • SCHEMBL9549996
    • SCHEMBL18089046
    • UNII-77970B04CL
    • CHEBI:68624
    • DTXSID301035611
    • AKOS040763263
    • (12Z)-Labda-12,14-dien-8alpha-ol
    • 2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-1-(3-methyl-2,4-pentadienyl)-, (1R-(1alpha(Z),2beta,4abeta,8aalpha))-
    • DA-59427
    • FA158031
    • HY-121999
    • CS-0083833
    • C20481
    • G79343
    • Q27137053
    • 2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-1-(3-methyl-1,3-pentadienyl)-
    • (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(2Z)-3-methylpenta-2,4-dien-1-yl]-decahydronaphthalen-2-ol
    • 2-naphthalenol, decahydro-2,5,5,8a-tetramethyl-1-[(2Z)-3-methyl-2,4-pentadienyl]-, (1R,2R,4aS,8aS)-
    • 863-116-8
    • InChI=1/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,9,16-17,21H,1,8,10-14H2,2-6H3/b15-9-/t16-,17+,19-,20+/m0/s

  • Applications

    Chemical name: (1R,2R,4aS,8aS)-Decahydro-2,5,5,8a-tetramethyl-1-((2Z)-3-methyl-2,4-pentadien-1-yl)-2-naphthalenol; CAS 17990-16-8. In perfumery, this compound is commonly used as an odorant and fixative; it may serve as a fragrance ingredient in cosmetics and personal care; it is evaluated for use in household products as a scent additive; in coatings and inks it can function as a fragrance additive; and it often acts as an intermediate in the industrial synthesis of aroma compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 158.52
    methanol 87.31
    isopropanol 139.74
    water 0.07
    ethyl acetate 290.68
    n-propanol 184.2
    acetone 207.65
    n-butanol 213.49
    acetonitrile 88.01
    DMF 366.63
    toluene 521.5
    isobutanol 153.24
    1,4-dioxane 684.97
    methyl acetate 165.94
    THF 1424.24
    2-butanone 265.21
    n-pentanol 119.4
    sec-butanol 141.51
    n-hexane 41.02
    ethylene glycol 5.09
    NMP 423.79
    cyclohexane 105.16
    DMSO 113.6
    n-butyl acetate 350.82
    n-octanol 118.28
    chloroform 524.06
    n-propyl acetate 174.93
    acetic acid 71.66
    dichloromethane 390.43
    cyclohexanone 523.93
    propylene glycol 18.19
    isopropyl acetate 273.35
    DMAc 340.2
    2-ethoxyethanol 116.53
    isopentanol 204.32
    n-heptane 55.39
    ethyl formate 95.01
    1,2-dichloroethane 246.85
    n-hexanol 277.2
    2-methoxyethanol 189.35
    isobutyl acetate 170.59
    tetrachloromethane 84.85
    n-pentyl acetate 241.25
    transcutol 988.52
    n-heptanol 137.97
    ethylbenzene 169.62
    MIBK 254.86
    2-propoxyethanol 398.71
    tert-butanol 171.87
    MTBE 348.28
    2-butoxyethanol 216.5
    propionic acid 75.78
    o-xylene 213.69
    formic acid 15.24
    diethyl ether 431.98
    m-xylene 323.08
    p-xylene 195.4
    chlorobenzene 297.45
    dimethyl carbonate 107.15
    n-octane 14.87
    formamide 28.35
    cyclopentanone 560.88
    2-pentanone 302.42
    anisole 282.46
    cyclopentyl methyl ether 581.84
    gamma-butyrolactone 475.95
    1-methoxy-2-propanol 250.25
    pyridine 519.3
    3-pentanone 238.26
    furfural 337.97
    n-dodecane 8.76
    diethylene glycol 122.2
    diisopropyl ether 162.16
    tert-amyl alcohol 152.14
    acetylacetone 296.75
    n-hexadecane 10.82
    acetophenone 210.25
    methyl propionate 229.93
    isopentyl acetate 368.35
    trichloroethylene 479.07
    n-nonanol 116.27
    cyclohexanol 223.72
    benzyl alcohol 147.17
    2-ethylhexanol 189.22
    isooctanol 121.34
    dipropyl ether 321.92
    1,2-dichlorobenzene 239.49
    ethyl lactate 71.86
    propylene carbonate 248.18
    n-methylformamide 86.3
    2-pentanol 153.21
    n-pentane 54.53
    1-propoxy-2-propanol 372.38
    1-methoxy-2-propyl acetate 440.03
    2-(2-methoxypropoxy) propanol 262.41
    mesitylene 195.89
    ε-caprolactone 426.25
    p-cymene 137.22
    epichlorohydrin 548.86
    1,1,1-trichloroethane 275.94
    2-aminoethanol 30.51
    morpholine-4-carbaldehyde 484.19
    sulfolane 357.55
    2,2,4-trimethylpentane 31.71
    2-methyltetrahydrofuran 736.13
    n-hexyl acetate 319.35
    isooctane 30.67
    2-(2-butoxyethoxy)ethanol 328.74
    sec-butyl acetate 175.47
    tert-butyl acetate 330.57
    decalin 45.65
    glycerin 30.2
    diglyme 581.59
    acrylic acid 52.78
    isopropyl myristate 127.71
    n-butyric acid 187.76
    acetyl acetate 177.74
    di(2-ethylhexyl) phthalate 127.41
    ethyl propionate 176.24
    nitromethane 134.39
    1,2-diethoxyethane 402.82
    benzonitrile 204.08
    trioctyl phosphate 87.36
    1-bromopropane 255.8
    gamma-valerolactone 685.62
    n-decanol 79.28
    triethyl phosphate 117.79
    4-methyl-2-pentanol 124.17
    propionitrile 133.88
    vinylene carbonate 220.04
    1,1,2-trichlorotrifluoroethane 201.72
    DMS 210.37
    cumene 111.32
    2-octanol 87.11
    2-hexanone 186.7
    octyl acetate 152.44
    limonene 191.27
    1,2-dimethoxyethane 340.61
    ethyl orthosilicate 129.6
    tributyl phosphate 98.22
    diacetone alcohol 243.55
    N,N-dimethylaniline 210.24
    acrylonitrile 121.16
    aniline 281.82
    1,3-propanediol 74.11
    bromobenzene 347.58
    dibromomethane 282.71
    1,1,2,2-tetrachloroethane 394.63
    2-methyl-cyclohexyl acetate 246.81
    tetrabutyl urea 133.15
    diisobutyl methanol 118.4
    2-phenylethanol 249.79
    styrene 189.61
    dioctyl adipate 172.9
    dimethyl sulfate 128.11
    ethyl butyrate 245.42
    methyl lactate 86.04
    butyl lactate 164.49
    diethyl carbonate 149.24
    propanediol butyl ether 161.62
    triethyl orthoformate 219.26
    p-tert-butyltoluene 148.46
    methyl 4-tert-butylbenzoate 263.69
    morpholine 749.69
    tert-butylamine 150.93
    n-dodecanol 55.6
    dimethoxymethane 416.42
    ethylene carbonate 195.61
    cyrene 195.42
    2-ethoxyethyl acetate 321.38
    2-ethylhexyl acetate 312.16
    1,2,4-trichlorobenzene 286.99
    4-methylpyridine 553.72
    dibutyl ether 187.91
    2,6-dimethyl-4-heptanol 118.4
    DEF 297.71
    dimethyl isosorbide 521.47
    tetrachloroethylene 225.28
    eugenol 212.8
    triacetin 260.85
    span 80 242.29
    1,4-butanediol 20.05
    1,1-dichloroethane 255.02
    2-methyl-1-pentanol 134.78
    methyl formate 65.04
    2-methyl-1-butanol 189.34
    n-decane 20.52
    butyronitrile 187.35
    3,7-dimethyl-1-octanol 144.99
    1-chlorooctane 98.98
    1-chlorotetradecane 32.36
    n-nonane 18.7
    undecane 12.74
    tert-butylcyclohexane 42.05
    cyclooctane 41.67
    cyclopentanol 175.43
    tetrahydropyran 832.37
    tert-amyl methyl ether 258.37
    2,5,8-trioxanonane 374.85
    1-hexene 126.0
    2-isopropoxyethanol 121.22
    2,2,2-trifluoroethanol 26.77
    methyl butyrate 198.55

    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