Cannabidiolic acid

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  • Identifiers

    CAS number
    1244-58-2

    Molecular formula
    C22H30O4

    SMILES
    CCCCCC1=CC(=C(C(=C1C(=O)O)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Woody 42.63%
    Spicy 41.98%
    Balsamic 31.52%
    Herbal 29.16%
    Phenolic 29.09%
    Dry 28.67%
    Odorless 28.3%
    Fresh 27.7%
    Fruity 26.84%
    Sweet 25.97%

     

    Flavor
    Bitter 45.72%
    Herbal 36.89%
    Woody 34.41%
    Odorless 23.85%
    Mild 21.26%
    Spice 21.06%
    Spicy 21.05%
    Lovage 21.02%
    Cedarleaf 20.91%
    Basil 20.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    8.04 (weak base)

    Molecular weight
    358.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    528°C

    Flash point

    • 220.2 ˚C est.

  • Synonyms

    • Cannabidiolic acid
    • 1244-58-2
    • CBDA
    • FJX8O3OJCD
    • DTXSID80154318
    • 3-p-Mentha-1,8-dien-3-yl-6-pentyl-beta-resorcylic acid
    • 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoic acid
    • CHEBI:3359
    • 2,4-dihydroxy-3-((1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-6-pentylbenzoic acid
    • RefChem:5641
    • DTXCID8076809
    • 423-050-9
    • Cannabidiol Acid
    • CHEMBL498672
    • Cannabidiolic acid (CBDA)
    • Benzoic acid, 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-6-pentyl-
    • UNII-FJX8O3OJCD
    • nnabidiolic acid
    • BENZOIC ACID, 2,4-DIHYDROXY-3-((1R,6R)-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL)-6-PENTYL-
    • 2,4-dihydroxy-3-[(1r,6r)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylbenzoic acid
    • SCHEMBL141666
    • CANNABIDIOLCARBOXYLIC ACID
    • SCHEMBL29730444
    • GTPL10600
    • GLXC-16316
    • BDBM50318485
    • LMPK13120003
    • CANNABIDIOLIC ACID [NFLIS-DRUG]
    • FC61419
    • FC167250
    • FS-10258
    • Cannabidiolic acid - Dicyclohexylammonium salt
    • Cannabidiolic acid (CBDA), 1mg/ml in Acetonitrile
    • Q27106043
    • Cannabidiolic acid (CBDA) 250 microg/mL in Acetonitrile
    • Cannabidiolic acid (CBDA) 100 microg/mL in Acetonitrile
    • Cannabidiolic acid (CBDA) 1000 microg/mL in Acetonitrile
    • (1'R,2'R)-2,6-dihydroxy-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro-[1,1'-biphenyl]-3-carboxylic acid
    • (1'R,2'R)-2,6-Dihydroxy-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-3-carboxylic acid
    • 2,4-dihydroxy-3-((1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl)-6-pentylbenzoic acid
    • 2,4-dihydroxy-3-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-6-pentyl-benzoic acid
    • 1244-58-2

  • Applications

    Cannabidiolic acid (CBDA), CAS 1244-58-2, is the acidic form of CBD commonly found in raw cannabis/hemp extracts. It is primarily used as a chemical intermediate or starting material in cannabinoid synthesis, notably as a precursor to cannabidiol and related cannabinoids in industrial and pharmaceutical workflows. In cosmetics and personal care, CBDA may be processed and used as an ingredient in cannabinoid-containing formulations, subject to regulatory and formulation limits. In analytical and research settings, CBDA serves as a reference material for cannabinoid analysis (e.g., HPLC/GC) and as a building block in R&D for cannabinoid derivatives. It can also be recovered from plant material during extraction and purification steps for downstream production. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 705.47
    methanol 750.2
    isopropanol 440.14
    water 0.05
    ethyl acetate 257.03
    n-propanol 621.01
    acetone 410.62
    n-butanol 449.76
    acetonitrile 91.92
    DMF 1733.74
    toluene 82.57
    isobutanol 330.53
    1,4-dioxane 362.4
    methyl acetate 207.89
    THF 1552.46
    2-butanone 382.64
    n-pentanol 223.29
    sec-butanol 300.24
    n-hexane 2.07
    ethylene glycol 157.08
    NMP 1681.06
    cyclohexane 2.73
    DMSO 1923.09
    n-butyl acetate 168.98
    n-octanol 35.67
    chloroform 151.54
    n-propyl acetate 119.3
    acetic acid 416.91
    dichloromethane 154.7
    cyclohexanone 559.48
    propylene glycol 628.81
    isopropyl acetate 203.16
    DMAc 1121.11
    2-ethoxyethanol 552.44
    isopentanol 319.41
    n-heptane 1.19
    ethyl formate 118.13
    1,2-dichloroethane 182.68
    n-hexanol 183.11
    2-methoxyethanol 2000.18
    isobutyl acetate 89.63
    tetrachloromethane 14.37
    n-pentyl acetate 111.35
    transcutol 1540.07
    n-heptanol 69.57
    ethylbenzene 25.54
    MIBK 236.1
    2-propoxyethanol 847.61
    tert-butanol 377.62
    MTBE 143.91
    2-butoxyethanol 310.42
    propionic acid 307.64
    o-xylene 37.33
    formic acid 165.97
    diethyl ether 117.06
    m-xylene 63.88
    p-xylene 29.55
    chlorobenzene 82.13
    dimethyl carbonate 205.51
    n-octane 0.54
    formamide 347.84
    cyclopentanone 1034.12
    2-pentanone 375.41
    anisole 96.54
    cyclopentyl methyl ether 379.83
    gamma-butyrolactone 997.07
    1-methoxy-2-propanol 1821.83
    pyridine 341.94
    3-pentanone 177.63
    furfural 511.3
    n-dodecane 0.54
    diethylene glycol 635.78
    diisopropyl ether 29.73
    tert-amyl alcohol 265.99
    acetylacetone 460.4
    n-hexadecane 0.64
    acetophenone 125.56
    methyl propionate 338.94
    isopentyl acetate 188.93
    trichloroethylene 374.42
    n-nonanol 35.73
    cyclohexanol 256.49
    benzyl alcohol 170.92
    2-ethylhexanol 62.19
    isooctanol 59.61
    dipropyl ether 52.84
    1,2-dichlorobenzene 65.7
    ethyl lactate 129.36
    propylene carbonate 378.78
    n-methylformamide 677.96
    2-pentanol 218.43
    n-pentane 2.6
    1-propoxy-2-propanol 520.95
    1-methoxy-2-propyl acetate 444.45
    2-(2-methoxypropoxy) propanol 300.58
    mesitylene 28.85
    ε-caprolactone 513.61
    p-cymene 18.82
    epichlorohydrin 1130.13
    1,1,1-trichloroethane 102.51
    2-aminoethanol 595.15
    morpholine-4-carbaldehyde 1260.93
    sulfolane 1751.89
    2,2,4-trimethylpentane 2.72
    2-methyltetrahydrofuran 569.26
    n-hexyl acetate 129.04
    isooctane 3.0
    2-(2-butoxyethoxy)ethanol 504.34
    sec-butyl acetate 93.45
    tert-butyl acetate 284.69
    decalin 2.79
    glycerin 774.03
    diglyme 670.19
    acrylic acid 243.55
    isopropyl myristate 37.46
    n-butyric acid 471.94
    acetyl acetate 123.58
    di(2-ethylhexyl) phthalate 68.93
    ethyl propionate 115.51
    nitromethane 581.44
    1,2-diethoxyethane 199.05
    benzonitrile 100.55
    trioctyl phosphate 48.07
    1-bromopropane 66.6
    gamma-valerolactone 1662.97
    n-decanol 24.14
    triethyl phosphate 54.54
    4-methyl-2-pentanol 122.35
    propionitrile 115.89
    vinylene carbonate 240.81
    1,1,2-trichlorotrifluoroethane 703.95
    DMS 153.33
    cumene 18.78
    2-octanol 34.91
    2-hexanone 138.79
    octyl acetate 58.44
    limonene 28.93
    1,2-dimethoxyethane 443.64
    ethyl orthosilicate 54.9
    tributyl phosphate 54.71
    diacetone alcohol 633.03
    N,N-dimethylaniline 78.19
    acrylonitrile 166.85
    aniline 233.66
    1,3-propanediol 915.45
    bromobenzene 66.86
    dibromomethane 80.39
    1,1,2,2-tetrachloroethane 302.36
    2-methyl-cyclohexyl acetate 100.94
    tetrabutyl urea 78.33
    diisobutyl methanol 42.3
    2-phenylethanol 174.29
    styrene 29.97
    dioctyl adipate 77.32
    dimethyl sulfate 425.56
    ethyl butyrate 94.84
    methyl lactate 421.85
    butyl lactate 180.76
    diethyl carbonate 53.78
    propanediol butyl ether 376.26
    triethyl orthoformate 81.63
    p-tert-butyltoluene 22.57
    methyl 4-tert-butylbenzoate 162.83
    morpholine 919.1
    tert-butylamine 110.25
    n-dodecanol 15.77
    dimethoxymethane 1015.02
    ethylene carbonate 203.93
    cyrene 311.05
    2-ethoxyethyl acetate 227.6
    2-ethylhexyl acetate 114.72
    1,2,4-trichlorobenzene 107.9
    4-methylpyridine 380.28
    dibutyl ether 28.3
    2,6-dimethyl-4-heptanol 42.3
    DEF 437.2
    dimethyl isosorbide 517.39
    tetrachloroethylene 131.96
    eugenol 181.39
    triacetin 159.31
    span 80 247.87
    1,4-butanediol 192.97
    1,1-dichloroethane 132.1
    2-methyl-1-pentanol 175.26
    methyl formate 329.41
    2-methyl-1-butanol 304.25
    n-decane 0.84
    butyronitrile 126.12
    3,7-dimethyl-1-octanol 53.45
    1-chlorooctane 9.46
    1-chlorotetradecane 3.6
    n-nonane 0.67
    undecane 0.66
    tert-butylcyclohexane 2.89
    cyclooctane 1.02
    cyclopentanol 406.1
    tetrahydropyran 309.57
    tert-amyl methyl ether 116.29
    2,5,8-trioxanonane 426.5
    1-hexene 16.79
    2-isopropoxyethanol 322.14
    2,2,2-trifluoroethanol 88.73
    methyl butyrate 154.26

    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