Oryzalic acid A

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  • Identifiers

    CAS number
    134859-97-5

    Molecular formula
    C20H30O5

    SMILES
    CC1(C2CCC3CC2(CCC1C(C)(C)C(=O)O)C4C3(O4)C)CC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 48.12%
    Odorless 36.75%
    Balsamic 33.97%
    Amber 32.23%
    Dry 31.14%
    Cooling 28.66%
    Cedar 28.02%
    Spicy 26.84%
    Animal 26.09%
    Herbal 24.71%

     

    Flavor
    Bitter 47.07%
    Odorless 27.89%
    Fruity 25.21%
    Mild 22.6%
    Woody 22.24%
    Cedarleaf 21.74%
    Clary 21.2%
    Sandalwood 21.13%
    Fir 20.76%
    Heather 20.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    5.48 (weak acid)

    Molecular weight
    350.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    456°C

    Melting point expt.

    • 203 - 204 °C

    Flash point

    • 211.87 ˚C est.

  • Synonyms

    • Oryzalic acid A
    • CHEBI:175483
    • DTXSID201102322
    • 134859-97-5
    • 2,8a-Methano-8aH-benzo[3,4]cyclohept[1,2-b]oxirene-5,6-diacetic acid, decahydro-I+/-6,I+/-6,1a,5-tetramethyl-, (1aS,2R,4aS,5S,6S,8aR,8bR)-
    • 2-[5-(carboxymethyl)-5,10-dimethyl-11-oxatetracyclo[7.3.1.01,6.010,12]tridecan-4-yl]-2-methylpropanoic acid
    • 134859-97-5

  • Applications

    Oryzalic acid A, CAS 134859-97-5, is viewed primarily as an organic synthesis intermediate providing building blocks for pharmaceutical and agrochemical compounds; it can serve as a precursor or processing aid in polymer and plastics chemistry; in coatings and inks, it may be used as an additive or reactive monomer component for functionalization; in cosmetics and personal care, it may act as a processing aid or stabilizer within formulations; in cleaning and household products, it can function as a chelating agent or formulation performance enhancer, with exact uses depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25.5
    methanol 47.24
    isopropanol 19.62
    water 0.4
    ethyl acetate 16.99
    n-propanol 21.97
    acetone 37.55
    n-butanol 15.29
    acetonitrile 24.75
    DMF 99.17
    toluene 7.18
    isobutanol 12.79
    1,4-dioxane 39.83
    methyl acetate 19.53
    THF 129.04
    2-butanone 25.41
    n-pentanol 11.32
    sec-butanol 8.37
    n-hexane 0.31
    ethylene glycol 14.53
    NMP 65.4
    cyclohexane 0.56
    DMSO 107.58
    n-butyl acetate 13.75
    n-octanol 5.28
    chloroform 35.57
    n-propyl acetate 12.51
    acetic acid 33.42
    dichloromethane 27.23
    cyclohexanone 34.0
    propylene glycol 13.16
    isopropyl acetate 14.61
    DMAc 65.53
    2-ethoxyethanol 32.44
    isopentanol 12.51
    n-heptane 0.28
    ethyl formate 13.92
    1,2-dichloroethane 16.66
    n-hexanol 15.14
    2-methoxyethanol 60.83
    isobutyl acetate 9.69
    tetrachloromethane 5.15
    n-pentyl acetate 12.02
    transcutol 33.04
    n-heptanol 9.43
    ethylbenzene 3.63
    MIBK 16.79
    2-propoxyethanol 56.97
    tert-butanol 16.14
    MTBE 7.24
    2-butoxyethanol 28.42
    propionic acid 18.91
    o-xylene 4.19
    formic acid 33.29
    diethyl ether 10.52
    m-xylene 5.96
    p-xylene 4.51
    chlorobenzene 9.46
    dimethyl carbonate 18.36
    n-octane 0.15
    formamide 46.05
    cyclopentanone 63.8
    2-pentanone 21.28
    anisole 11.42
    cyclopentyl methyl ether 18.34
    gamma-butyrolactone 62.42
    1-methoxy-2-propanol 54.22
    pyridine 32.88
    3-pentanone 15.07
    furfural 44.31
    n-dodecane 0.12
    diethylene glycol 51.36
    diisopropyl ether 3.19
    tert-amyl alcohol 8.3
    acetylacetone 30.35
    n-hexadecane 0.14
    acetophenone 15.74
    methyl propionate 20.03
    isopentyl acetate 14.28
    trichloroethylene 34.95
    n-nonanol 5.94
    cyclohexanol 9.08
    benzyl alcohol 15.6
    2-ethylhexanol 6.27
    isooctanol 7.39
    dipropyl ether 5.48
    1,2-dichlorobenzene 9.14
    ethyl lactate 14.06
    propylene carbonate 25.08
    n-methylformamide 51.82
    2-pentanol 7.01
    n-pentane 0.36
    1-propoxy-2-propanol 28.17
    1-methoxy-2-propyl acetate 27.81
    2-(2-methoxypropoxy) propanol 20.68
    mesitylene 3.45
    ε-caprolactone 29.47
    p-cymene 3.12
    epichlorohydrin 62.02
    1,1,1-trichloroethane 12.36
    2-aminoethanol 25.45
    morpholine-4-carbaldehyde 61.85
    sulfolane 67.59
    2,2,4-trimethylpentane 0.26
    2-methyltetrahydrofuran 29.0
    n-hexyl acetate 12.64
    isooctane 0.29
    2-(2-butoxyethoxy)ethanol 25.23
    sec-butyl acetate 8.56
    tert-butyl acetate 15.25
    decalin 0.44
    glycerin 29.59
    diglyme 39.26
    acrylic acid 21.77
    isopropyl myristate 4.49
    n-butyric acid 22.0
    acetyl acetate 15.21
    di(2-ethylhexyl) phthalate 9.46
    ethyl propionate 12.09
    nitromethane 59.57
    1,2-diethoxyethane 10.13
    benzonitrile 15.3
    trioctyl phosphate 6.73
    1-bromopropane 6.49
    gamma-valerolactone 77.41
    n-decanol 3.71
    triethyl phosphate 7.66
    4-methyl-2-pentanol 6.27
    propionitrile 19.2
    vinylene carbonate 26.54
    1,1,2-trichlorotrifluoroethane 44.93
    DMS 14.23
    cumene 2.75
    2-octanol 4.18
    2-hexanone 14.07
    octyl acetate 6.89
    limonene 3.41
    1,2-dimethoxyethane 39.72
    ethyl orthosilicate 6.78
    tributyl phosphate 6.21
    diacetone alcohol 25.4
    N,N-dimethylaniline 8.24
    acrylonitrile 27.66
    aniline 13.06
    1,3-propanediol 30.88
    bromobenzene 7.7
    dibromomethane 15.72
    1,1,2,2-tetrachloroethane 25.83
    2-methyl-cyclohexyl acetate 12.42
    tetrabutyl urea 9.54
    diisobutyl methanol 3.69
    2-phenylethanol 22.08
    styrene 3.92
    dioctyl adipate 8.54
    dimethyl sulfate 29.72
    ethyl butyrate 10.09
    methyl lactate 23.15
    butyl lactate 14.28
    diethyl carbonate 8.27
    propanediol butyl ether 18.43
    triethyl orthoformate 9.15
    p-tert-butyltoluene 2.87
    methyl 4-tert-butylbenzoate 18.66
    morpholine 49.3
    tert-butylamine 5.34
    n-dodecanol 2.25
    dimethoxymethane 69.6
    ethylene carbonate 21.76
    cyrene 32.1
    2-ethoxyethyl acetate 19.81
    2-ethylhexyl acetate 10.08
    1,2,4-trichlorobenzene 12.35
    4-methylpyridine 23.95
    dibutyl ether 2.56
    2,6-dimethyl-4-heptanol 3.69
    DEF 20.89
    dimethyl isosorbide 35.37
    tetrachloroethylene 18.15
    eugenol 21.68
    triacetin 14.73
    span 80 17.01
    1,4-butanediol 15.26
    1,1-dichloroethane 13.77
    2-methyl-1-pentanol 8.6
    methyl formate 34.01
    2-methyl-1-butanol 9.25
    n-decane 0.24
    butyronitrile 14.82
    3,7-dimethyl-1-octanol 4.95
    1-chlorooctane 1.68
    1-chlorotetradecane 0.58
    n-nonane 0.19
    undecane 0.16
    tert-butylcyclohexane 0.39
    cyclooctane 0.25
    cyclopentanol 16.73
    tetrahydropyran 23.61
    tert-amyl methyl ether 5.69
    2,5,8-trioxanonane 27.8
    1-hexene 1.55
    2-isopropoxyethanol 21.82
    2,2,2-trifluoroethanol 21.54
    methyl butyrate 13.59

    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