Grindelic Acid

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  • Identifiers

    CAS number
    1438-57-9

    Molecular formula
    C20H32O3

    SMILES
    CC1=CC[C@@H]2[C@@]([C@@]13CC[C@@](O3)(C)CC(=O)O)(CCCC2(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 77.01%
    Amber 53.65%
    Dry 48.64%
    Musk 47.98%
    Cedar 46.5%
    Fruity 38.73%
    Tobacco 38.48%
    Powdery 35.55%
    Balsamic 35.14%
    Sweet 34.95%

     

    Flavor
    Woody 65.21%
    Sweet 51.11%
    Camphor 41.38%
    Herbal 40.41%
    Pine 37.01%
    Earthy 33.08%
    Dry 32.1%
    Spicy 30.51%
    Minty 29.73%
    Fruity 29.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.57 (neutral)

    Molecular weight
    320.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    419°C

    Flash point

    • 183.11 ˚C est.

  • Synonyms

    • Grindelic acid
    • 4QX9FCD1IN
    • 1438-57-9
    • Labd-7-en-15-oic acid, 9,13-epoxy-
    • 2-[(2'S,4aS,8R,8aS)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid
    • 2-((2'S,4aS,8R,8aS)-2',4,4,7,8a-pentamethylspiro(2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane)-2'-yl)acetic acid
    • RefChem:144438
    • DTXCID101016580
    • DTXSID10878535
    • (-)-GRINDELIC ACID
    • UNII-4QX9FCD1IN
    • GRINDELIC ACID [MI]
    • CHEMBL2419211
    • SPIRO(FURAN-2(3H),1'(4'H)-NAPHTHALENE)-5-ACETIC ACID, 4,4'A,5,5',6',7',8',8'A-OCTAHYDRO-2',5,5',5',8'A-PENTAMETHYL-, (1'R-(1'.ALPHA.(S*),4'A.ALPHA.,8'A.BETA.))-
    • Grindelic acid, >=95% (LC/MS-ELSD)
    • Q27260380
    • SPIRO(FURAN-2(3H),1'(4'H)-NAPHTHALENE)-5-ACETIC ACID, 4,4'A,5,5',6',7',8',8'A-OCTAHYDRO-2',5,5',5',8'A-PENTAMETHYL-, (1'R,4'AS,5S,8'AS)-
    • 1438-57-9

  • Applications

    Grindelic acid (CAS 1438-57-9) is an aromatic organic acid regarded as a useful synthesis intermediate in the chemical industry; it may be used as a building block for the preparation of complex organic compounds and can function as a solvent or a co-solvent in certain formulation processes; in the plastics and polymers sector it may participate in polymer synthesis or serve as a component that reinforces plastics; in coatings and inks it may be used as an additive to improve processability and system stability; in cleaning and industrial chemicals it may be used as a chelating agent or stabilizer depending on the formulation. Actual applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 112.89
    methanol 85.41
    isopropanol 140.62
    water 0.35
    ethyl acetate 217.82
    n-propanol 180.83
    acetone 254.54
    n-butanol 172.45
    acetonitrile 142.23
    DMF 527.44
    toluene 348.99
    isobutanol 160.35
    1,4-dioxane 368.24
    methyl acetate 195.73
    THF 882.99
    2-butanone 274.25
    n-pentanol 109.41
    sec-butanol 144.1
    n-hexane 16.82
    ethylene glycol 22.58
    NMP 457.37
    cyclohexane 36.13
    DMSO 272.33
    n-butyl acetate 153.45
    n-octanol 73.85
    chloroform 706.2
    n-propyl acetate 137.75
    acetic acid 112.16
    dichloromethane 428.39
    cyclohexanone 435.58
    propylene glycol 52.94
    isopropyl acetate 189.81
    DMAc 447.51
    2-ethoxyethanol 129.41
    isopentanol 157.65
    n-heptane 8.83
    ethyl formate 105.65
    1,2-dichloroethane 293.45
    n-hexanol 151.03
    2-methoxyethanol 200.09
    isobutyl acetate 126.78
    tetrachloromethane 97.16
    n-pentyl acetate 143.33
    transcutol 307.55
    n-heptanol 85.2
    ethylbenzene 117.59
    MIBK 200.45
    2-propoxyethanol 253.73
    tert-butanol 147.42
    MTBE 184.71
    2-butoxyethanol 155.97
    propionic acid 132.29
    o-xylene 157.89
    formic acid 41.05
    diethyl ether 205.95
    m-xylene 222.0
    p-xylene 135.88
    chlorobenzene 280.81
    dimethyl carbonate 161.17
    n-octane 3.6
    formamide 67.04
    cyclopentanone 536.82
    2-pentanone 263.66
    anisole 203.26
    cyclopentyl methyl ether 358.89
    gamma-butyrolactone 504.48
    1-methoxy-2-propanol 258.05
    pyridine 400.56
    3-pentanone 230.14
    furfural 365.38
    n-dodecane 3.14
    diethylene glycol 146.06
    diisopropyl ether 77.16
    tert-amyl alcohol 129.86
    acetylacetone 278.59
    n-hexadecane 3.97
    acetophenone 184.72
    methyl propionate 230.51
    isopentyl acetate 161.51
    trichloroethylene 595.09
    n-nonanol 71.96
    cyclohexanol 199.1
    benzyl alcohol 154.26
    2-ethylhexanol 84.5
    isooctanol 74.08
    dipropyl ether 93.68
    1,2-dichlorobenzene 239.96
    ethyl lactate 93.22
    propylene carbonate 264.38
    n-methylformamide 187.6
    2-pentanol 126.32
    n-pentane 20.81
    1-propoxy-2-propanol 179.2
    1-methoxy-2-propyl acetate 232.65
    2-(2-methoxypropoxy) propanol 144.37
    mesitylene 114.7
    ε-caprolactone 347.09
    p-cymene 61.96
    epichlorohydrin 528.79
    1,1,1-trichloroethane 319.01
    2-aminoethanol 70.03
    morpholine-4-carbaldehyde 420.69
    sulfolane 477.68
    2,2,4-trimethylpentane 12.39
    2-methyltetrahydrofuran 442.99
    n-hexyl acetate 187.67
    isooctane 10.97
    2-(2-butoxyethoxy)ethanol 170.44
    sec-butyl acetate 124.47
    tert-butyl acetate 198.04
    decalin 18.52
    glycerin 79.03
    diglyme 301.9
    acrylic acid 117.19
    isopropyl myristate 64.97
    n-butyric acid 180.02
    acetyl acetate 162.06
    di(2-ethylhexyl) phthalate 81.05
    ethyl propionate 146.36
    nitromethane 241.89
    1,2-diethoxyethane 128.01
    benzonitrile 193.61
    trioctyl phosphate 58.06
    1-bromopropane 212.97
    gamma-valerolactone 586.46
    n-decanol 49.73
    triethyl phosphate 70.31
    4-methyl-2-pentanol 93.48
    propionitrile 185.07
    vinylene carbonate 260.17
    1,1,2-trichlorotrifluoroethane 306.12
    DMS 177.62
    cumene 72.61
    2-octanol 59.96
    2-hexanone 147.88
    octyl acetate 84.88
    limonene 75.67
    1,2-dimethoxyethane 234.42
    ethyl orthosilicate 67.48
    tributyl phosphate 63.61
    diacetone alcohol 197.5
    N,N-dimethylaniline 135.89
    acrylonitrile 201.88
    aniline 269.63
    1,3-propanediol 105.33
    bromobenzene 302.77
    dibromomethane 303.71
    1,1,2,2-tetrachloroethane 502.15
    2-methyl-cyclohexyl acetate 121.58
    tetrabutyl urea 85.41
    diisobutyl methanol 49.96
    2-phenylethanol 167.44
    styrene 137.22
    dioctyl adipate 90.12
    dimethyl sulfate 227.71
    ethyl butyrate 109.65
    methyl lactate 142.69
    butyl lactate 122.72
    diethyl carbonate 78.89
    propanediol butyl ether 147.18
    triethyl orthoformate 92.8
    p-tert-butyltoluene 59.22
    methyl 4-tert-butylbenzoate 166.12
    morpholine 454.07
    tert-butylamine 96.1
    n-dodecanol 34.16
    dimethoxymethane 360.62
    ethylene carbonate 224.39
    cyrene 175.4
    2-ethoxyethyl acetate 196.96
    2-ethylhexyl acetate 132.3
    1,2,4-trichlorobenzene 286.61
    4-methylpyridine 424.89
    dibutyl ether 66.64
    2,6-dimethyl-4-heptanol 49.96
    DEF 243.9
    dimethyl isosorbide 249.37
    tetrachloroethylene 276.59
    eugenol 160.79
    triacetin 176.83
    span 80 129.41
    1,4-butanediol 50.98
    1,1-dichloroethane 315.25
    2-methyl-1-pentanol 111.25
    methyl formate 136.44
    2-methyl-1-butanol 162.9
    n-decane 6.64
    butyronitrile 171.43
    3,7-dimethyl-1-octanol 76.85
    1-chlorooctane 46.0
    1-chlorotetradecane 15.43
    n-nonane 5.6
    undecane 4.39
    tert-butylcyclohexane 16.13
    cyclooctane 13.31
    cyclopentanol 207.63
    tetrahydropyran 451.63
    tert-amyl methyl ether 145.8
    2,5,8-trioxanonane 185.59
    1-hexene 66.67
    2-isopropoxyethanol 119.6
    2,2,2-trifluoroethanol 75.73
    methyl butyrate 163.33

    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