[(2R,4aR,8aS)-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-yl] acetate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    473-16-51

    Molecular formula
    C17H28O3

    SMILES
    CC1=CCC[C@]2([C@@H]1C([C@@H](CC2)C(C)(C)O)OC(=O)C)C

    Retention indicies (RI)

    • DB5: 1793.0

  • Odor profile

    Woody 68.67%
    Herbal 61.6%
    Fruity 54.28%
    Floral 53.61%
    Sweet 50.79%
    Balsamic 45.64%
    Spicy 45.5%
    Pine 38.09%
    Fresh 37.35%
    Mint 34.73%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.17 (weak base)

    Molecular weight
    280.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    340°C

    Flash point est.
    144.68 ˚C

  • Synonyms

    • alpha-eudesmol acetate
    • Q67879630

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 113.19
    methanol 254.37
    isopropanol 77.88
    water 3.86
    ethyl acetate 108.78
    n-propanol 94.2
    acetone 161.56
    n-butanol 78.55
    acetonitrile 107.71
    DMF 433.5
    toluene 126.02
    isobutanol 75.31
    1,4-dioxane 495.32
    methyl acetate 127.57
    THF 600.26
    2-butanone 127.03
    n-pentanol 63.31
    sec-butanol 62.68
    n-hexane 6.62
    ethylene glycol 40.25
    NMP 459.43
    cyclohexane 20.09
    DMSO 219.72
    n-butyl acetate 104.93
    n-octanol 72.94
    chloroform 412.14
    n-propyl acetate 86.53
    acetic acid 171.16
    dichloromethane 305.0
    cyclohexanone 273.55
    propylene glycol 79.78
    isopropyl acetate 74.18
    DMAc 336.01
    2-ethoxyethanol 109.16
    isopentanol 71.31
    n-heptane 7.17
    ethyl formate 99.66
    1,2-dichloroethane 134.87
    n-hexanol 110.95
    2-methoxyethanol 220.85
    isobutyl acetate 75.85
    tetrachloromethane 43.57
    n-pentyl acetate 93.56
    transcutol 495.88
    n-heptanol 70.49
    ethylbenzene 61.5
    MIBK 73.65
    2-propoxyethanol 226.31
    tert-butanol 96.81
    MTBE 60.28
    2-butoxyethanol 130.4
    propionic acid 120.93
    o-xylene 85.42
    formic acid 104.23
    diethyl ether 66.38
    m-xylene 93.63
    p-xylene 92.3
    chlorobenzene 152.35
    dimethyl carbonate 88.4
    n-octane 3.68
    formamide 131.62
    cyclopentanone 341.86
    2-pentanone 90.53
    anisole 128.23
    cyclopentyl methyl ether 180.03
    gamma-butyrolactone 419.46
    1-methoxy-2-propanol 188.7
    pyridine 262.22
    3-pentanone 84.18
    furfural 367.64
    n-dodecane 3.95
    diethylene glycol 183.64
    diisopropyl ether 25.07
    tert-amyl alcohol 72.68
    acetylacetone 150.88
    n-hexadecane 4.66
    acetophenone 132.35
    methyl propionate 113.22
    isopentyl acetate 106.75
    trichloroethylene 332.67
    n-nonanol 66.74
    cyclohexanol 118.26
    benzyl alcohol 126.37
    2-ethylhexanol 68.3
    isooctanol 57.01
    dipropyl ether 61.36
    1,2-dichlorobenzene 145.15
    ethyl lactate 73.57
    propylene carbonate 234.11
    n-methylformamide 179.24
    2-pentanol 46.51
    n-pentane 6.17
    1-propoxy-2-propanol 160.39
    1-methoxy-2-propyl acetate 152.12
    2-(2-methoxypropoxy) propanol 162.63
    mesitylene 58.26
    ε-caprolactone 249.66
    p-cymene 46.77
    epichlorohydrin 347.95
    1,1,1-trichloroethane 133.97
    2-aminoethanol 89.16
    morpholine-4-carbaldehyde 504.03
    sulfolane 387.48
    2,2,4-trimethylpentane 5.68
    2-methyltetrahydrofuran 276.91
    n-hexyl acetate 138.87
    isooctane 4.62
    2-(2-butoxyethoxy)ethanol 207.67
    sec-butyl acetate 62.76
    tert-butyl acetate 85.55
    decalin 12.55
    glycerin 130.41
    diglyme 307.02
    acrylic acid 123.95
    isopropyl myristate 57.69
    n-butyric acid 131.96
    acetyl acetate 107.36
    di(2-ethylhexyl) phthalate 87.27
    ethyl propionate 77.06
    nitromethane 272.76
    1,2-diethoxyethane 131.49
    benzonitrile 155.79
    trioctyl phosphate 58.93
    1-bromopropane 61.56
    gamma-valerolactone 528.75
    n-decanol 49.2
    triethyl phosphate 58.81
    4-methyl-2-pentanol 39.35
    propionitrile 87.3
    vinylene carbonate 242.41
    1,1,2-trichlorotrifluoroethane 259.62
    DMS 136.28
    cumene 45.72
    2-octanol 47.77
    2-hexanone 84.68
    octyl acetate 77.96
    limonene 59.39
    1,2-dimethoxyethane 218.53
    ethyl orthosilicate 56.68
    tributyl phosphate 65.51
    diacetone alcohol 117.19
    N,N-dimethylaniline 95.66
    acrylonitrile 122.45
    aniline 150.8
    1,3-propanediol 109.05
    bromobenzene 143.97
    dibromomethane 160.05
    1,1,2,2-tetrachloroethane 269.75
    2-methyl-cyclohexyl acetate 102.53
    tetrabutyl urea 83.23
    diisobutyl methanol 39.42
    2-phenylethanol 147.32
    styrene 68.26
    dioctyl adipate 94.8
    dimethyl sulfate 131.66
    ethyl butyrate 80.01
    methyl lactate 109.37
    butyl lactate 105.28
    diethyl carbonate 65.28
    propanediol butyl ether 155.66
    triethyl orthoformate 75.37
    p-tert-butyltoluene 47.09
    methyl 4-tert-butylbenzoate 144.54
    morpholine 446.27
    tert-butylamine 54.33
    n-dodecanol 36.4
    dimethoxymethane 233.36
    ethylene carbonate 190.83
    cyrene 193.93
    2-ethoxyethyl acetate 137.24
    2-ethylhexyl acetate 88.6
    1,2,4-trichlorobenzene 188.64
    4-methylpyridine 263.63
    dibutyl ether 57.48
    2,6-dimethyl-4-heptanol 39.42
    DEF 134.42
    dimethyl isosorbide 310.21
    tetrachloroethylene 162.13
    eugenol 152.34
    triacetin 160.28
    span 80 165.82
    1,4-butanediol 51.84
    1,1-dichloroethane 124.38
    2-methyl-1-pentanol 64.54
    methyl formate 163.66
    2-methyl-1-butanol 69.62
    n-decane 6.86
    butyronitrile 90.53
    3,7-dimethyl-1-octanol 67.63
    1-chlorooctane 33.77
    1-chlorotetradecane 14.74
    n-nonane 5.88
    undecane 5.1
    tert-butylcyclohexane 10.61
    cyclooctane 7.23
    cyclopentanol 146.45
    tetrahydropyran 281.6
    tert-amyl methyl ether 54.62
    2,5,8-trioxanonane 247.44
    1-hexene 23.44
    2-isopropoxyethanol 84.59
    2,2,2-trifluoroethanol 72.92
    methyl butyrate 98.21

    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
Chenopodium botrys Chenopodium botrys L., fam. Chenopodiaceae 1.7%
Laggera alata var. montana (Cameroon) Laggera alata var. montana C.D. Adams, fam. Asteraceae (Compositae) 0.3%