Queretaroic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    511-82-0

    Molecular formula
    C30H48O4

    SMILES
    C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2C1)C)C(=O)O)CO

    Safety labels

  • Odor profile

    Fragrance
    Woody 82.49%
    Amber 53.36%
    Balsamic 48.84%
    Dry 47.37%
    Cedar 46.97%
    Sandalwood 43.13%
    Camphoreous 40.57%
    Pine 37.68%
    Earthy 37.48%
    Herbal 36.88%

     

    Flavor
    Woody 57.98%
    Sweet 48.14%
    Camphor 44.56%
    Pine 43.92%
    Balsam 41.36%
    Earthy 36.73%
    Herbal 36.24%
    Spicy 34.68%
    Bitter 32.12%
    Dry 30.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    6.44 (neutral)

    Molecular weight
    472.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    155°C

    Flash point

    • 288.65 ˚C est.

  • Synonyms

    • Queretaroic acid
    • 3beta,30-Dihydroxyolean-12-en-28-oic acid
    • 511-82-0
    • (2S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • Queretaroate
    • RefChem:178128
    • SCHEMBL15532615
    • CHEBI:168366
    • DTXSID801316769
    • LMPR0106150036
    • 511-82-0

  • Applications

    Queretaroic acid (CAS 511-82-0) may be used as a synthetic organic intermediate and can function as a solvent or co-solvent in formulations; it may serve as a precursor or functional additive in polymers and plastics; it can act as a chelating agent in cleaning, metal finishing, and related industrial processes; it may be considered as a fragrance ingredient or fragrance precursor in perfumery; and in cosmetics and personal care, it is occasionally evaluated as a formulation aid or stabilizer within regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.81
    methanol 12.79
    isopropanol 9.53
    water 0.01
    ethyl acetate 5.1
    n-propanol 18.61
    acetone 6.21
    n-butanol 12.89
    acetonitrile 1.61
    DMF 81.74
    toluene 4.64
    isobutanol 8.7
    1,4-dioxane 37.22
    methyl acetate 4.77
    THF 68.79
    2-butanone 9.1
    n-pentanol 7.66
    sec-butanol 6.01
    n-hexane 0.21
    ethylene glycol 1.51
    NMP 34.39
    cyclohexane 0.22
    DMSO 16.19
    n-butyl acetate 4.96
    n-octanol 3.04
    chloroform 14.77
    n-propyl acetate 3.4
    acetic acid 6.13
    dichloromethane 7.18
    cyclohexanone 12.85
    propylene glycol 4.39
    isopropyl acetate 4.88
    DMAc 38.46
    2-ethoxyethanol 21.38
    isopentanol 6.8
    n-heptane 0.19
    ethyl formate 3.03
    1,2-dichloroethane 4.44
    n-hexanol 8.45
    2-methoxyethanol 40.92
    isobutyl acetate 3.02
    tetrachloromethane 1.7
    n-pentyl acetate 7.58
    transcutol 41.43
    n-heptanol 6.45
    ethylbenzene 2.04
    MIBK 5.35
    2-propoxyethanol 51.27
    tert-butanol 5.42
    MTBE 5.14
    2-butoxyethanol 26.13
    propionic acid 5.35
    o-xylene 2.45
    formic acid 3.57
    diethyl ether 7.3
    m-xylene 3.2
    p-xylene 1.92
    chlorobenzene 3.79
    dimethyl carbonate 6.8
    n-octane 0.08
    formamide 5.15
    cyclopentanone 21.76
    2-pentanone 7.85
    anisole 7.28
    cyclopentyl methyl ether 13.29
    gamma-butyrolactone 18.99
    1-methoxy-2-propanol 44.4
    pyridine 19.36
    3-pentanone 5.5
    furfural 15.88
    n-dodecane 0.03
    diethylene glycol 20.61
    diisopropyl ether 1.47
    tert-amyl alcohol 4.3
    acetylacetone 8.93
    n-hexadecane 0.04
    acetophenone 6.27
    methyl propionate 8.51
    isopentyl acetate 5.34
    trichloroethylene 12.72
    n-nonanol 3.42
    cyclohexanol 4.87
    benzyl alcohol 8.77
    2-ethylhexanol 2.85
    isooctanol 4.53
    dipropyl ether 4.53
    1,2-dichlorobenzene 3.4
    ethyl lactate 4.14
    propylene carbonate 6.58
    n-methylformamide 16.41
    2-pentanol 4.52
    n-pentane 0.25
    1-propoxy-2-propanol 27.73
    1-methoxy-2-propyl acetate 15.6
    2-(2-methoxypropoxy) propanol 13.89
    mesitylene 1.59
    ε-caprolactone 12.3
    p-cymene 1.35
    epichlorohydrin 26.22
    1,1,1-trichloroethane 3.29
    2-aminoethanol 8.03
    morpholine-4-carbaldehyde 58.16
    sulfolane 22.7
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 14.8
    n-hexyl acetate 7.41
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 21.7
    sec-butyl acetate 2.67
    tert-butyl acetate 5.89
    decalin 0.2
    glycerin 8.37
    diglyme 36.57
    acrylic acid 5.17
    isopropyl myristate 1.7
    n-butyric acid 9.06
    acetyl acetate 3.57
    di(2-ethylhexyl) phthalate 4.01
    ethyl propionate 3.42
    nitromethane 9.28
    1,2-diethoxyethane 8.48
    benzonitrile 3.91
    trioctyl phosphate 2.58
    1-bromopropane 2.52
    gamma-valerolactone 46.75
    n-decanol 1.63
    triethyl phosphate 2.6
    4-methyl-2-pentanol 2.98
    propionitrile 3.17
    vinylene carbonate 7.49
    1,1,2-trichlorotrifluoroethane 20.17
    DMS 6.49
    cumene 1.3
    2-octanol 2.6
    2-hexanone 4.71
    octyl acetate 2.82
    limonene 1.54
    1,2-dimethoxyethane 25.96
    ethyl orthosilicate 2.98
    tributyl phosphate 1.95
    diacetone alcohol 10.22
    N,N-dimethylaniline 5.75
    acrylonitrile 4.33
    aniline 7.85
    1,3-propanediol 14.38
    bromobenzene 3.2
    dibromomethane 4.37
    1,1,2,2-tetrachloroethane 11.58
    2-methyl-cyclohexyl acetate 4.38
    tetrabutyl urea 3.27
    diisobutyl methanol 1.75
    2-phenylethanol 10.42
    styrene 2.22
    dioctyl adipate 3.71
    dimethyl sulfate 10.32
    ethyl butyrate 3.6
    methyl lactate 9.72
    butyl lactate 9.63
    diethyl carbonate 2.11
    propanediol butyl ether 17.58
    triethyl orthoformate 4.63
    p-tert-butyltoluene 1.51
    methyl 4-tert-butylbenzoate 11.58
    morpholine 61.44
    tert-butylamine 2.21
    n-dodecanol 0.76
    dimethoxymethane 53.28
    ethylene carbonate 5.88
    cyrene 14.99
    2-ethoxyethyl acetate 14.29
    2-ethylhexyl acetate 3.86
    1,2,4-trichlorobenzene 5.62
    4-methylpyridine 12.66
    dibutyl ether 1.61
    2,6-dimethyl-4-heptanol 1.75
    DEF 11.77
    dimethyl isosorbide 22.03
    tetrachloroethylene 7.8
    eugenol 13.23
    triacetin 8.12
    span 80 12.54
    1,4-butanediol 4.33
    1,1-dichloroethane 3.79
    2-methyl-1-pentanol 4.33
    methyl formate 7.65
    2-methyl-1-butanol 6.6
    n-decane 0.11
    butyronitrile 3.32
    3,7-dimethyl-1-octanol 2.42
    1-chlorooctane 0.7
    1-chlorotetradecane 0.14
    n-nonane 0.09
    undecane 0.05
    tert-butylcyclohexane 0.2
    cyclooctane 0.13
    cyclopentanol 7.43
    tetrahydropyran 17.78
    tert-amyl methyl ether 3.87
    2,5,8-trioxanonane 19.33
    1-hexene 0.98
    2-isopropoxyethanol 12.23
    2,2,2-trifluoroethanol 2.56
    methyl butyrate 4.18

    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