Lambertianic Acid

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  • Identifiers

    CAS number
    4966-13-6

    Molecular formula
    C20H28O3

    SMILES
    C[C@@]12CCC[C@@H]([C@H]1CCC(=C)[C@@H]2CCC3=COC=C3)C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Woody 57.83%
    Green 56.35%
    Fruity 49.65%
    Floral 46.44%
    Fresh 37.65%
    Amber 34.01%
    Balsamic 32.28%
    Dry 30.61%
    Sweet 29.04%
    Oily 28.6%

     

    Flavor
    Fruity 44.34%
    Woody 36.65%
    Herbal 35.98%
    Balsam 28.0%
    Green 27.77%
    Floral 26.18%
    Fruit 25.92%
    Waxy 25.24%
    Herb 24.22%
    Spice 23.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    7.33 (neutral)

    Molecular weight
    316.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    416°C

    Flash point

    • 165.15 ˚C est.

  • Synonyms

    • Lambertian acid
    • DTXSID90904826
    • RefChem:152159
    • DTXCID801333943
    • (1S,4aR,5R)-5-(2-(furan-3-yl)ethyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
    • 4966-13-6
    • Lambertianic Acid
    • methyl (1S,4aR,5S,8aR)-5-[2-(furan-3-yl)ethyl]-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate
    • NSC 664875
    • methyl (1S,4aR,5S,8aR)-5-(2-(furan-3-yl)ethyl)-4a-methyl-6-methylenedecahydronaphthalene-1-carboxylate
    • Methyl (1S,4aR,5S,8aR)-5-[2-(furan-3-yl)ethyl]-4a-methyl-6-methylidenedecahydronaphthalene-1-carboxylate
    • 4966-13-6

  • Applications

    Lambertianic Acid, CAS 4966-13-6, is typically considered an odorant and fragrance component with potential use in perfumery and cosmetics, may be evaluated as an intermediate for organic synthesis of specialty chemicals, and can be explored in household products, coatings and inks, as well as polymer formulations as a building block or fragrance additive; its final use depends on regulatory approvals and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 439.32
    methanol 485.14
    isopropanol 388.58
    water 0.09
    ethyl acetate 467.47
    n-propanol 491.24
    acetone 420.76
    n-butanol 424.65
    acetonitrile 173.56
    DMF 506.77
    toluene 819.86
    isobutanol 292.34
    1,4-dioxane 1037.36
    methyl acetate 266.93
    THF 1551.27
    2-butanone 429.44
    n-pentanol 151.79
    sec-butanol 229.99
    n-hexane 2.62
    ethylene glycol 21.65
    NMP 233.14
    cyclohexane 27.27
    DMSO 239.95
    n-butyl acetate 186.49
    n-octanol 22.55
    chloroform 1829.15
    n-propyl acetate 164.86
    acetic acid 159.33
    dichloromethane 1471.27
    cyclohexanone 631.46
    propylene glycol 46.73
    isopropyl acetate 324.48
    DMAc 397.16
    2-ethoxyethanol 288.28
    isopentanol 301.38
    n-heptane 2.22
    ethyl formate 182.99
    1,2-dichloroethane 849.49
    n-hexanol 125.03
    2-methoxyethanol 635.94
    isobutyl acetate 130.76
    tetrachloromethane 128.84
    n-pentyl acetate 99.62
    transcutol 1023.92
    n-heptanol 45.91
    ethylbenzene 118.42
    MIBK 247.07
    2-propoxyethanol 365.14
    tert-butanol 286.57
    MTBE 264.65
    2-butoxyethanol 149.24
    propionic acid 134.29
    o-xylene 218.5
    formic acid 65.39
    diethyl ether 468.49
    m-xylene 295.78
    p-xylene 121.04
    chlorobenzene 518.33
    dimethyl carbonate 156.9
    n-octane 0.95
    formamide 137.77
    cyclopentanone 649.6
    2-pentanone 397.53
    anisole 306.28
    cyclopentyl methyl ether 479.99
    gamma-butyrolactone 512.27
    1-methoxy-2-propanol 514.95
    pyridine 986.16
    3-pentanone 266.82
    furfural 522.17
    n-dodecane 0.85
    diethylene glycol 222.29
    diisopropyl ether 71.8
    tert-amyl alcohol 153.1
    acetylacetone 414.01
    n-hexadecane 1.11
    acetophenone 215.37
    methyl propionate 331.84
    isopentyl acetate 204.82
    trichloroethylene 1509.23
    n-nonanol 25.4
    cyclohexanol 279.47
    benzyl alcohol 263.05
    2-ethylhexanol 52.11
    isooctanol 41.54
    dipropyl ether 75.84
    1,2-dichlorobenzene 345.99
    ethyl lactate 75.31
    propylene carbonate 242.43
    n-methylformamide 281.01
    2-pentanol 175.04
    n-pentane 7.53
    1-propoxy-2-propanol 217.13
    1-methoxy-2-propyl acetate 329.06
    2-(2-methoxypropoxy) propanol 136.0
    mesitylene 114.94
    ε-caprolactone 420.16
    p-cymene 46.53
    epichlorohydrin 1135.25
    1,1,1-trichloroethane 512.15
    2-aminoethanol 103.9
    morpholine-4-carbaldehyde 456.11
    sulfolane 322.6
    2,2,4-trimethylpentane 4.95
    2-methyltetrahydrofuran 596.81
    n-hexyl acetate 94.36
    isooctane 4.93
    2-(2-butoxyethoxy)ethanol 213.67
    sec-butyl acetate 137.89
    tert-butyl acetate 268.58
    decalin 7.61
    glycerin 75.59
    diglyme 492.41
    acrylic acid 100.84
    isopropyl myristate 36.12
    n-butyric acid 343.01
    acetyl acetate 216.65
    di(2-ethylhexyl) phthalate 56.7
    ethyl propionate 154.31
    nitromethane 320.14
    1,2-diethoxyethane 284.1
    benzonitrile 298.09
    trioctyl phosphate 29.77
    1-bromopropane 380.35
    gamma-valerolactone 845.13
    n-decanol 17.43
    triethyl phosphate 58.94
    4-methyl-2-pentanol 100.03
    propionitrile 305.75
    vinylene carbonate 265.75
    1,1,2-trichlorotrifluoroethane 373.37
    DMS 139.75
    cumene 57.57
    2-octanol 21.8
    2-hexanone 137.29
    octyl acetate 42.29
    limonene 52.15
    1,2-dimethoxyethane 485.39
    ethyl orthosilicate 61.2
    tributyl phosphate 38.24
    diacetone alcohol 240.11
    N,N-dimethylaniline 137.94
    acrylonitrile 338.44
    aniline 650.67
    1,3-propanediol 300.18
    bromobenzene 554.89
    dibromomethane 770.51
    1,1,2,2-tetrachloroethane 1101.25
    2-methyl-cyclohexyl acetate 106.1
    tetrabutyl urea 49.32
    diisobutyl methanol 37.92
    2-phenylethanol 210.65
    styrene 178.34
    dioctyl adipate 67.54
    dimethyl sulfate 149.84
    ethyl butyrate 134.4
    methyl lactate 120.32
    butyl lactate 84.84
    diethyl carbonate 90.57
    propanediol butyl ether 92.16
    triethyl orthoformate 104.41
    p-tert-butyltoluene 44.28
    methyl 4-tert-butylbenzoate 136.76
    morpholine 1259.64
    tert-butylamine 133.88
    n-dodecanol 12.25
    dimethoxymethane 705.69
    ethylene carbonate 257.22
    cyrene 143.63
    2-ethoxyethyl acetate 233.16
    2-ethylhexyl acetate 135.23
    1,2,4-trichlorobenzene 378.13
    4-methylpyridine 856.02
    dibutyl ether 39.79
    2,6-dimethyl-4-heptanol 37.92
    DEF 311.06
    dimethyl isosorbide 261.17
    tetrachloroethylene 636.76
    eugenol 138.44
    triacetin 129.26
    span 80 95.94
    1,4-butanediol 68.08
    1,1-dichloroethane 739.52
    2-methyl-1-pentanol 120.68
    methyl formate 169.81
    2-methyl-1-butanol 229.32
    n-decane 1.66
    butyronitrile 321.19
    3,7-dimethyl-1-octanol 40.27
    1-chlorooctane 16.53
    1-chlorotetradecane 5.45
    n-nonane 1.28
    undecane 1.15
    tert-butylcyclohexane 5.87
    cyclooctane 6.04
    cyclopentanol 231.94
    tetrahydropyran 1070.79
    tert-amyl methyl ether 131.97
    2,5,8-trioxanonane 278.53
    1-hexene 24.85
    2-isopropoxyethanol 176.16
    2,2,2-trifluoroethanol 59.9
    methyl butyrate 192.01

    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