(-)-Minquartynoic acid

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  • Identifiers

    CAS number
    123154-43-8

    Molecular formula
    C18H20O3

    SMILES
    C[C@@H](C#CC#CC#CC#CCCCCCCCC(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 48.11%
    Floral 34.88%
    Waxy 24.39%
    Fresh 24.31%
    Dry 21.27%
    Woody 21.23%
    Citrus 20.75%
    Powdery 19.98%
    Spicy 19.68%
    Violet 18.41%

     

    Flavor
    Bitter 78.15%
    Odorless 39.32%
    Bland 31.33%
    Nitrile 19.21%
    Mild 18.57%
    Sweet-like 18.16%
    Cedarleaf 17.81%
    Oriental 17.12%
    Parsley 16.71%
    Lovage 16.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    3.42 (weak acid)

    Molecular weight
    284.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    224°C

    Flash point

    • 238.42 ˚C est.

  • Synonyms

    • Minquartynoic acid
    • 123154-43-8
    • (-)-minquartynoic acid
    • (17S)-17-hydroxyoctadeca-9,11,13,15-tetraynoic acid
    • CHEBI:542606
    • DTXSID90153872
    • RefChem:158967
    • DTXCID7076363
    • minquartic acid
    • (S)-minquartynoic acid
    • (S)-17-hydroxy-9,11,13,15-octadecatetraynoic acid
    • 17-hydroxyoctadeca-9,11,13,15-tetraynoic acid
    • CHEMBL487989
    • SCHEMBL31614978
    • LMFA01050459
    • (S)-(-)-(E)-15,16-dihydrominquartynoic acid
    • 17S-Hydroxyoctadecatetra-9,11,13,15-ynoic acid
    • Q27105168
    • 123154-43-8

  • Applications

    (-)-Minquartynoic acid, CAS 123154-43-8, is primarily used as an intermediate in organic synthesis, providing a chiral carboxylic framework for downstream transformations. It is commonly evaluated as a chiral building block for the preparation of pharmaceutical and agrochemical agents, and as a precursor for fragrance and flavor esters in perfumery and related applications. In polymer and coatings chemistry, the acid and its derivatives can serve as functional monomers or precursors for specialty polymers and plasticizers. In cosmetics and personal care, derivatives of this acid may be explored as starting materials for ester formulations used in product formulations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 242.38
    methanol 434.12
    isopropanol 98.34
    water 0.31
    ethyl acetate 70.17
    n-propanol 112.23
    acetone 269.1
    n-butanol 83.74
    acetonitrile 40.14
    DMF 761.33
    toluene 11.37
    isobutanol 63.93
    1,4-dioxane 109.38
    methyl acetate 73.66
    THF 430.12
    2-butanone 116.68
    n-pentanol 79.46
    sec-butanol 64.5
    n-hexane 2.25
    ethylene glycol 80.6
    NMP 364.55
    cyclohexane 1.86
    DMSO 1906.42
    n-butyl acetate 63.5
    n-octanol 26.07
    chloroform 65.4
    n-propyl acetate 80.02
    acetic acid 193.8
    dichloromethane 81.67
    cyclohexanone 159.26
    propylene glycol 122.82
    isopropyl acetate 58.1
    DMAc 612.96
    2-ethoxyethanol 247.68
    isopentanol 76.96
    n-heptane 1.31
    ethyl formate 54.54
    1,2-dichloroethane 95.09
    n-hexanol 52.03
    2-methoxyethanol 429.96
    isobutyl acetate 53.74
    tetrachloromethane 8.35
    n-pentyl acetate 44.2
    transcutol 823.13
    n-heptanol 27.44
    ethylbenzene 12.7
    MIBK 80.34
    2-propoxyethanol 171.58
    tert-butanol 123.17
    MTBE 57.1
    2-butoxyethanol 100.98
    propionic acid 99.12
    o-xylene 13.26
    formic acid 139.65
    diethyl ether 41.53
    m-xylene 13.55
    p-xylene 15.75
    chlorobenzene 21.82
    dimethyl carbonate 53.49
    n-octane 0.89
    formamide 268.02
    cyclopentanone 269.26
    2-pentanone 107.42
    anisole 52.76
    cyclopentyl methyl ether 104.21
    gamma-butyrolactone 265.09
    1-methoxy-2-propanol 305.54
    pyridine 73.78
    3-pentanone 58.64
    furfural 188.74
    n-dodecane 1.12
    diethylene glycol 194.2
    diisopropyl ether 13.79
    tert-amyl alcohol 83.03
    acetylacetone 187.87
    n-hexadecane 1.26
    acetophenone 66.42
    methyl propionate 81.72
    isopentyl acetate 64.38
    trichloroethylene 145.32
    n-nonanol 24.57
    cyclohexanol 60.62
    benzyl alcohol 59.55
    2-ethylhexanol 29.91
    isooctanol 25.2
    dipropyl ether 28.61
    1,2-dichlorobenzene 26.85
    ethyl lactate 63.36
    propylene carbonate 110.12
    n-methylformamide 215.95
    2-pentanol 45.05
    n-pentane 1.03
    1-propoxy-2-propanol 116.53
    1-methoxy-2-propyl acetate 102.93
    2-(2-methoxypropoxy) propanol 124.14
    mesitylene 10.23
    ε-caprolactone 129.26
    p-cymene 10.36
    epichlorohydrin 242.04
    1,1,1-trichloroethane 39.76
    2-aminoethanol 170.17
    morpholine-4-carbaldehyde 294.61
    sulfolane 537.17
    2,2,4-trimethylpentane 2.03
    2-methyltetrahydrofuran 137.0
    n-hexyl acetate 63.54
    isooctane 1.46
    2-(2-butoxyethoxy)ethanol 181.11
    sec-butyl acetate 49.06
    tert-butyl acetate 93.38
    decalin 3.03
    glycerin 213.53
    diglyme 344.52
    acrylic acid 91.84
    isopropyl myristate 24.23
    n-butyric acid 115.54
    acetyl acetate 51.08
    di(2-ethylhexyl) phthalate 33.61
    ethyl propionate 59.57
    nitromethane 321.85
    1,2-diethoxyethane 109.0
    benzonitrile 39.13
    trioctyl phosphate 22.85
    1-bromopropane 27.01
    gamma-valerolactone 331.57
    n-decanol 18.27
    triethyl phosphate 34.19
    4-methyl-2-pentanol 32.89
    propionitrile 34.82
    vinylene carbonate 81.14
    1,1,2-trichlorotrifluoroethane 241.56
    DMS 60.88
    cumene 11.89
    2-octanol 18.07
    2-hexanone 88.37
    octyl acetate 32.17
    limonene 15.54
    1,2-dimethoxyethane 286.95
    ethyl orthosilicate 33.5
    tributyl phosphate 31.81
    diacetone alcohol 172.47
    N,N-dimethylaniline 45.36
    acrylonitrile 53.69
    aniline 37.51
    1,3-propanediol 181.11
    bromobenzene 17.92
    dibromomethane 43.56
    1,1,2,2-tetrachloroethane 134.41
    2-methyl-cyclohexyl acetate 53.46
    tetrabutyl urea 49.7
    diisobutyl methanol 19.56
    2-phenylethanol 45.09
    styrene 15.05
    dioctyl adipate 53.83
    dimethyl sulfate 149.97
    ethyl butyrate 50.66
    methyl lactate 98.21
    butyl lactate 66.41
    diethyl carbonate 35.12
    propanediol butyl ether 128.51
    triethyl orthoformate 45.31
    p-tert-butyltoluene 10.77
    methyl 4-tert-butylbenzoate 73.55
    morpholine 193.65
    tert-butylamine 48.05
    n-dodecanol 13.56
    dimethoxymethane 277.0
    ethylene carbonate 66.82
    cyrene 115.7
    2-ethoxyethyl acetate 87.59
    2-ethylhexyl acetate 45.29
    1,2,4-trichlorobenzene 38.31
    4-methylpyridine 68.72
    dibutyl ether 32.78
    2,6-dimethyl-4-heptanol 19.56
    DEF 144.3
    dimethyl isosorbide 184.1
    tetrachloroethylene 74.59
    eugenol 81.84
    triacetin 101.53
    span 80 95.12
    1,4-butanediol 79.59
    1,1-dichloroethane 44.0
    2-methyl-1-pentanol 67.46
    methyl formate 120.5
    2-methyl-1-butanol 63.71
    n-decane 1.77
    butyronitrile 40.94
    3,7-dimethyl-1-octanol 28.86
    1-chlorooctane 10.75
    1-chlorotetradecane 4.61
    n-nonane 1.49
    undecane 1.37
    tert-butylcyclohexane 3.16
    cyclooctane 0.73
    cyclopentanol 82.2
    tetrahydropyran 91.08
    tert-amyl methyl ether 48.7
    2,5,8-trioxanonane 236.14
    1-hexene 14.08
    2-isopropoxyethanol 144.34
    2,2,2-trifluoroethanol 58.36
    methyl butyrate 91.99

    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